methyl(oxiran-2-ylmethyl)carbamic acid

C5H9NO3 — CID 87093362

IUPACmethyl(oxiran-2-ylmethyl)carbamic acid
SMILESCN(CC1CO1)C(=O)O
InChIInChI=1S/C5H9NO3/c1-6(5(7)8)2-4-3-9-4/h4H,2-3H2,1H3,(H,7,8)
InChIKeyOYTYJBAAEMCMOX-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.00
Rot. Bonds2

About methyl(oxiran-2-ylmethyl)carbamic acid

methyl(oxiran-2-ylmethyl)carbamic acid (PubChem CID 87093362) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is methyl(oxiran-2-ylmethyl)carbamic acid.

Molecular Properties

Compound Namemethyl(oxiran-2-ylmethyl)carbamic acid
PubChem CID87093362
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namemethyl(oxiran-2-ylmethyl)carbamic acid
SMILESCN(CC1CO1)C(=O)O
InChIInChI=1S/C5H9NO3/c1-6(5(7)8)2-4-3-9-4/h4H,2-3H2,1H3,(H,7,8)
InChIKeyOYTYJBAAEMCMOX-UHFFFAOYSA-N
XLogP-0.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methyl(oxiran-2-ylmethyl)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

Related Compounds

1,4-dioxan-2-ylmethyl(methyl)carbamic acid
CID 68851137
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
N,N-dimethyl-1-(oxiran-2-yl)methanamine;2-methylidenebutanedioic acid
CID 18955534
prop-2-enyl N-methyl-N-(oxiran-2-ylmethyl)carbamate
CID 59768322
N,N-dimethyl-1-(oxiran-2-yl)methanamine
CID 161234843
1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
CID 21422545
2-[bis(oxiran-2-ylmethyl)amino]acetic acid
CID 19695060
N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine
CID 166989099
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
N-iodo-N-methyl-1-(oxiran-2-yl)methanamine
CID 118696490
1-ethyl-1-(oxiran-2-ylmethyl)urea
CID 141285145
tert-butyl N-methyl-N-[2-[methyl-[[(2R)-oxiran-2-yl]methyl]amino]ethyl]carbamate
CID 118190485

Frequently Asked Questions

What is the IUPAC name of methyl(oxiran-2-ylmethyl)carbamic acid?
The IUPAC name of methyl(oxiran-2-ylmethyl)carbamic acid (CID 87093362) is methyl(oxiran-2-ylmethyl)carbamic acid.
What is the SMILES notation for methyl(oxiran-2-ylmethyl)carbamic acid?
The canonical SMILES for methyl(oxiran-2-ylmethyl)carbamic acid is CN(CC1CO1)C(=O)O.
What is the InChIKey of methyl(oxiran-2-ylmethyl)carbamic acid?
The InChIKey is OYTYJBAAEMCMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-6(5(7)8)2-4-3-9-4/h4H,2-3H2,1H3,(H,7,8).
What are the key properties of methyl(oxiran-2-ylmethyl)carbamic acid?
methyl(oxiran-2-ylmethyl)carbamic acid has a molecular weight of 131.13 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(oxiran-2-ylmethyl)carbamic acid is sourced from PubChem (CID 87093362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).