1-hydroxyethyl N-methylcarbamate

C4H9NO3 — CID 21270273

IUPAC1-hydroxyethyl N-methylcarbamate
SMILESCNC(=O)OC(C)O
InChIInChI=1S/C4H9NO3/c1-3(6)8-4(7)5-2/h3,6H,1-2H3,(H,5,7)
InChIKeyOJJWLXAHUXVAQG-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.32
Rot. Bonds1

About 1-hydroxyethyl N-methylcarbamate

1-hydroxyethyl N-methylcarbamate (PubChem CID 21270273) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 1-hydroxyethyl N-methylcarbamate.

Molecular Properties

Compound Name1-hydroxyethyl N-methylcarbamate
PubChem CID21270273
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name1-hydroxyethyl N-methylcarbamate
SMILESCNC(=O)OC(C)O
InChIInChI=1S/C4H9NO3/c1-3(6)8-4(7)5-2/h3,6H,1-2H3,(H,5,7)
InChIKeyOJJWLXAHUXVAQG-UHFFFAOYSA-N
XLogP-0.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl N-methylcarbamate?
The IUPAC name of 1-hydroxyethyl N-methylcarbamate (CID 21270273) is 1-hydroxyethyl N-methylcarbamate.
What is the SMILES notation for 1-hydroxyethyl N-methylcarbamate?
The canonical SMILES for 1-hydroxyethyl N-methylcarbamate is CNC(=O)OC(C)O.
What is the InChIKey of 1-hydroxyethyl N-methylcarbamate?
The InChIKey is OJJWLXAHUXVAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-3(6)8-4(7)5-2/h3,6H,1-2H3,(H,5,7).
What are the key properties of 1-hydroxyethyl N-methylcarbamate?
1-hydroxyethyl N-methylcarbamate has a molecular weight of 119.12 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl N-methylcarbamate is sourced from PubChem (CID 21270273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).