1.0 2016-09-30 23:05:14 UTC 2020-05-11 20:40:41 UTC BMDB0003551 BMDB03551 Carbamic acid Aminoameisensaeure Aminoformic acid Carbamate Carbamidsaeure Aminoformate Carbamate ion Chlorphenesin carbamate Maolate Calcium carbamate Carbamic acid, potassium salt Carbamic acid, sodium salt Sodium carbamate Ammonium carbamate Carbamic acid, ammonia salt Carbamic acid, calcium salt Potassium carbamate CH3NO2 61.04 61.016378345 carbamic acid carbamic acid 463-77-4 NC(O)=O InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4) KXDHJXZQYSOELW-UHFFFAOYSA-N belongs to the class of organic compounds known as organic carbonic acids and derivatives. Organic carbonic acids and derivatives are compounds comprising the organic carbonic acid or a derivative thereof. Organic compounds Organic acids and derivatives Organic carbonic acids and derivatives Organic carbonic acids and derivatives Carbamic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Aliphatic acyclic compound Carbamic acid Carbamic acid derivative Carbonic acid derivative Carbonyl group Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Aliphatic acyclic compounds carbon oxoacid one-carbon compound organonitrogen compound Solid logp -1.10 ALOGPS logs 0.79 ALOGPS logp -0.56 ChemAxon pka_strongest_acidic 3.92 ChemAxon iupac carbamic acid ChemAxon average_mass 61.04 ChemAxon mono_mass 61.016378345 ChemAxon smiles NC(O)=O ChemAxon formula CH3NO2 ChemAxon inchi InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4) ChemAxon inchikey KXDHJXZQYSOELW-UHFFFAOYSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 11.32 ChemAxon polarizability 4.68 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 24121 Specdb::CMs 38628 Specdb::CMs 154700 Specdb::NmrOneD 283509 Specdb::NmrOneD 283510 Specdb::NmrOneD 283511 Specdb::NmrOneD 283512 Specdb::NmrOneD 283513 Specdb::NmrOneD 283514 Specdb::NmrOneD 283515 Specdb::NmrOneD 283516 Specdb::NmrOneD 283517 Specdb::NmrOneD 283518 Specdb::NmrOneD 283519 Specdb::NmrOneD 283520 Specdb::NmrOneD 283521 Specdb::NmrOneD 283522 Specdb::NmrOneD 283523 Specdb::NmrOneD 283524 Specdb::NmrOneD 283525 Specdb::NmrOneD 283526 Specdb::NmrOneD 283527 Specdb::NmrOneD 283528 Specdb::MsIr 2007 Specdb::MsIr 2008 Specdb::MsIr 2009 Specdb::MsMs 20651 Specdb::MsMs 20652 Specdb::MsMs 20653 Specdb::MsMs 22202 Specdb::MsMs 22203 Specdb::MsMs 22204 Specdb::MsMs 3035489 Specdb::MsMs 3035490 Specdb::MsMs 3035491 Specdb::MsMs 3105239 Specdb::MsMs 3105240 Specdb::MsMs 3105241 Neuron Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Semen Identified in bull spermatozoa by GC-MS Menezes EB, Velho ALC, Santos F, Dinh T, Kaya A, Topper E, Moura AA, Memili E: Uncovering sperm metabolome to discover biomarkers for bull fertility. BMC Genomics. 2019 Sep 18;20(1):714. doi: 10.1186/s12864-019-6074-6. 31533629 FDB023195 C01563 271 C00016003 277 DB04261 28616 CARBAMATE Carbamic_acid 6950