1-(oxiran-2-yl)ethylcarbamic acid

C5H9NO3 — CID 87698799

IUPAC1-(oxiran-2-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)C1CO1
InChIInChI=1S/C5H9NO3/c1-3(4-2-9-4)6-5(7)8/h3-4,6H,2H2,1H3,(H,7,8)
InChIKeyHXRGLZBXQBLVTG-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.04
Rot. Bonds2

About 1-(oxiran-2-yl)ethylcarbamic acid

1-(oxiran-2-yl)ethylcarbamic acid (PubChem CID 87698799) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 1-(oxiran-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(oxiran-2-yl)ethylcarbamic acid
PubChem CID87698799
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name1-(oxiran-2-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)C1CO1
InChIInChI=1S/C5H9NO3/c1-3(4-2-9-4)6-5(7)8/h3-4,6H,2H2,1H3,(H,7,8)
InChIKeyHXRGLZBXQBLVTG-UHFFFAOYSA-N
XLogP0.04
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-yl)ethylcarbamic acid?
The IUPAC name of 1-(oxiran-2-yl)ethylcarbamic acid (CID 87698799) is 1-(oxiran-2-yl)ethylcarbamic acid.
What is the SMILES notation for 1-(oxiran-2-yl)ethylcarbamic acid?
The canonical SMILES for 1-(oxiran-2-yl)ethylcarbamic acid is CC(NC(=O)O)C1CO1.
What is the InChIKey of 1-(oxiran-2-yl)ethylcarbamic acid?
The InChIKey is HXRGLZBXQBLVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3(4-2-9-4)6-5(7)8/h3-4,6H,2H2,1H3,(H,7,8).
What are the key properties of 1-(oxiran-2-yl)ethylcarbamic acid?
1-(oxiran-2-yl)ethylcarbamic acid has a molecular weight of 131.13 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-yl)ethylcarbamic acid is sourced from PubChem (CID 87698799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).