2-acetamido-3-hydroxybutanoic acid

C6H11NO4 — CID 4651717

IUPAC2-acetamido-3-hydroxybutanoic acid
SMILESCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)
InChIKeyPEDXUVCGOLSNLQ-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.04
Rot. Bonds3

About 2-acetamido-3-hydroxybutanoic acid

2-acetamido-3-hydroxybutanoic acid (PubChem CID 4651717) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-acetamido-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-acetamido-3-hydroxybutanoic acid
PubChem CID4651717
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-acetamido-3-hydroxybutanoic acid
SMILESCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)
InChIKeyPEDXUVCGOLSNLQ-UHFFFAOYSA-N
XLogP-1.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-3-hydroxybutanoic 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 2-acetamido-3-hydroxybutanoic acid?
The IUPAC name of 2-acetamido-3-hydroxybutanoic acid (CID 4651717) is 2-acetamido-3-hydroxybutanoic acid.
What is the SMILES notation for 2-acetamido-3-hydroxybutanoic acid?
The canonical SMILES for 2-acetamido-3-hydroxybutanoic acid is CC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 2-acetamido-3-hydroxybutanoic acid?
The InChIKey is PEDXUVCGOLSNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11).
What are the key properties of 2-acetamido-3-hydroxybutanoic acid?
2-acetamido-3-hydroxybutanoic acid has a molecular weight of 161.16 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-hydroxybutanoic acid is sourced from PubChem (CID 4651717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).