(2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid

C6H13NO3 — CID 2724869

IUPAC(2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid
SMILESCC(C)[C@H](O)[C@@H](N)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyZAYJDMWJYCTABM-UHNVWZDZSA-N
MW147.17 g/mol
LogP-0.58
Rot. Bonds3

About (2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid

(2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid (PubChem CID 2724869) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid
PubChem CID2724869
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid
SMILESCC(C)[C@H](O)[C@@H](N)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyZAYJDMWJYCTABM-UHNVWZDZSA-N
XLogP-0.58
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-2-amino-3-hydroxy-4-methylpentanoic 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 (2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid?
The IUPAC name of (2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid (CID 2724869) is (2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid.
What is the SMILES notation for (2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid?
The canonical SMILES for (2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid is CC(C)[C@H](O)[C@@H](N)C(=O)O.
What is the InChIKey of (2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid?
The InChIKey is ZAYJDMWJYCTABM-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m1/s1.
What are the key properties of (2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid?
(2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid is sourced from PubChem (CID 2724869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).