1-methoxyethyl(methyl)carbamic acid

C5H11NO3 — CID 87394472

IUPAC1-methoxyethyl(methyl)carbamic acid
SMILESCOC(C)N(C)C(=O)O
InChIInChI=1S/C5H11NO3/c1-4(9-3)6(2)5(7)8/h4H,1-3H3,(H,7,8)
InChIKeyAOHGPANQMCKYNV-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.59
Rot. Bonds2

About 1-methoxyethyl(methyl)carbamic acid

1-methoxyethyl(methyl)carbamic acid (PubChem CID 87394472) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1-methoxyethyl(methyl)carbamic acid.

Molecular Properties

Compound Name1-methoxyethyl(methyl)carbamic acid
PubChem CID87394472
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name1-methoxyethyl(methyl)carbamic acid
SMILESCOC(C)N(C)C(=O)O
InChIInChI=1S/C5H11NO3/c1-4(9-3)6(2)5(7)8/h4H,1-3H3,(H,7,8)
InChIKeyAOHGPANQMCKYNV-UHFFFAOYSA-N
XLogP0.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxyethyl(methyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl(methyl)carbamic acid?
The IUPAC name of 1-methoxyethyl(methyl)carbamic acid (CID 87394472) is 1-methoxyethyl(methyl)carbamic acid.
What is the SMILES notation for 1-methoxyethyl(methyl)carbamic acid?
The canonical SMILES for 1-methoxyethyl(methyl)carbamic acid is COC(C)N(C)C(=O)O.
What is the InChIKey of 1-methoxyethyl(methyl)carbamic acid?
The InChIKey is AOHGPANQMCKYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(9-3)6(2)5(7)8/h4H,1-3H3,(H,7,8).
What are the key properties of 1-methoxyethyl(methyl)carbamic acid?
1-methoxyethyl(methyl)carbamic acid has a molecular weight of 133.15 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl(methyl)carbamic acid is sourced from PubChem (CID 87394472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).