ethyl N-(hydroxymethyl)-N-methylcarbamate

C5H11NO3 — CID 21453677

IUPACethyl N-(hydroxymethyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)CO
InChIInChI=1S/C5H11NO3/c1-3-9-5(8)6(2)4-7/h7H,3-4H2,1-2H3
InChIKeyCWZDSXASJPMNNZ-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.02
Rot. Bonds2

About ethyl N-(hydroxymethyl)-N-methylcarbamate

ethyl N-(hydroxymethyl)-N-methylcarbamate (PubChem CID 21453677) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is ethyl N-(hydroxymethyl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(hydroxymethyl)-N-methylcarbamate
PubChem CID21453677
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Nameethyl N-(hydroxymethyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)CO
InChIInChI=1S/C5H11NO3/c1-3-9-5(8)6(2)4-7/h7H,3-4H2,1-2H3
InChIKeyCWZDSXASJPMNNZ-UHFFFAOYSA-N
XLogP0.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Carbamic acid, N,N-dimethyl-, ethyl ester
CID 12709
2-Methoxyethyl dimethylolcarbamate
CID 25005
Isobutyl dimethylolcarbamate
CID 40311
2-Hydroxyethyl bis(hydroxymethyl)carbamate
CID 82522
ethyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 19370355
Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester
CID 107617
2-Hydroxyethyl dimethylcarbamate
CID 15560803
Dimethylol propyl carbamate
CID 53998168
CID 134952189
CID 134952189
Tert-butyl (hydroxymethyl)(methyl)carbamate
CID 135013785
Ethyl N,N-bis(hydroxymethyl)carbamate
CID 77491
Ethyl (hydroxymethyl)(methoxymethyl)carbamate
CID 83094

Frequently Asked Questions

What is the IUPAC name of ethyl N-(hydroxymethyl)-N-methylcarbamate?
The IUPAC name of ethyl N-(hydroxymethyl)-N-methylcarbamate (CID 21453677) is ethyl N-(hydroxymethyl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(hydroxymethyl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(hydroxymethyl)-N-methylcarbamate is CCOC(=O)N(C)CO.
What is the InChIKey of ethyl N-(hydroxymethyl)-N-methylcarbamate?
The InChIKey is CWZDSXASJPMNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3-9-5(8)6(2)4-7/h7H,3-4H2,1-2H3.
What are the key properties of ethyl N-(hydroxymethyl)-N-methylcarbamate?
ethyl N-(hydroxymethyl)-N-methylcarbamate has a molecular weight of 133.15 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(hydroxymethyl)-N-methylcarbamate is sourced from PubChem (CID 21453677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).