ethyl N-methylcarbamate
PubChem CID: 7752
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| Compound Synonyms | Ethyl methylcarbamate, N-Methylurethane, 105-40-8, ETHYL N-METHYLCARBAMATE, N-Methylurethan, Ethyl-N-methylcarbamate, Carbamic acid, methyl-, ethyl ester, Methylcarbamic acid, ethyl ester, N-Methyl urethan, Methylurethane (VAN), N-Methylcarbamic acid, ethyl ester, CCRIS 2510, HSDB 5367, CH3NHCOOC2H5, UNII-1W34GCF5CS, NSC 8836, EINECS 203-295-6, BRN 1743375, METHYL-CARBAMIC ACID ETHYL ESTER, AI3-09519, NSC-8836, Ethylester kyseliny methylkarbaminove, Carbamic acid, N-methyl-, ethyl ester, 1W34GCF5CS, DTXSID2031746, 4-04-00-00200 (Beilstein Handbook Reference), ETHYL N-METHYLCARBAMATE [HSDB], N-Methylcarbamic acid ethyl ester, NMethylurethan, NMethylurethane, methyl urethane, methyl-urethane, NMethyl urethan, Ethylester kyseliny methylkarbaminove [Czech], EthylNmethylcarbamate, MFCD00041924, ethyl(methyl)carbamate, ethyl-n-methyl carbamate, WLN: 2OVM1, SCHEMBL42229, ETHYL METHYLAMINOFORMATE, methylcarbamic acid ethyl ester, NMethylcarbamic acid ethyl ester, CHEMBL1232511, DTXCID0011746, NSC8836, N-methyl-carbamic acid ethyl ester, Carbamic acid, methyl, ethyl ester, AKOS006221441, DB02856, NCI60_041953, CS-0187425, M0456, NS00023372, D91332, Q27093818 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Aminoacids |
| Deep Smiles | CCOC=O)NC |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 62.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl N-methylcarbamate |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H9NO2 |
| Inchi Key | SURZCVYFPAXNGN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | ethyl n-methylcarbamate |
| Esol Class | Very soluble |
| Functional Groups | CNC(=O)OC |
| Compound Name | ethyl N-methylcarbamate |
| Exact Mass | 103.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 103.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 103.12 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6) |
| Smiles | CCOC(=O)NC |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.764215