4-hydroxybutan-2-ylcarbamic acid

C5H11NO3 — CID 23135998

IUPAC4-hydroxybutan-2-ylcarbamic acid
SMILESCC(CCO)NC(=O)O
InChIInChI=1S/C5H11NO3/c1-4(2-3-7)6-5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeyVAPARDXXISEJFD-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.02
Rot. Bonds3

About 4-hydroxybutan-2-ylcarbamic acid

4-hydroxybutan-2-ylcarbamic acid (PubChem CID 23135998) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 4-hydroxybutan-2-ylcarbamic acid.

Molecular Properties

Compound Name4-hydroxybutan-2-ylcarbamic acid
PubChem CID23135998
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name4-hydroxybutan-2-ylcarbamic acid
SMILESCC(CCO)NC(=O)O
InChIInChI=1S/C5H11NO3/c1-4(2-3-7)6-5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeyVAPARDXXISEJFD-UHFFFAOYSA-N
XLogP0.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-hydroxybutan-2-ylcarbamic 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 4-hydroxybutan-2-ylcarbamic acid?
The IUPAC name of 4-hydroxybutan-2-ylcarbamic acid (CID 23135998) is 4-hydroxybutan-2-ylcarbamic acid.
What is the SMILES notation for 4-hydroxybutan-2-ylcarbamic acid?
The canonical SMILES for 4-hydroxybutan-2-ylcarbamic acid is CC(CCO)NC(=O)O.
What is the InChIKey of 4-hydroxybutan-2-ylcarbamic acid?
The InChIKey is VAPARDXXISEJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(2-3-7)6-5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9).
What are the key properties of 4-hydroxybutan-2-ylcarbamic acid?
4-hydroxybutan-2-ylcarbamic acid has a molecular weight of 133.15 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutan-2-ylcarbamic acid is sourced from PubChem (CID 23135998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).