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

C10H13NO3 — CID 10987161

IUPAC(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
SMILESN[C@H](Cc1ccccc1)[C@H](O)C(=O)O
InChIInChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyLDSJMFGYNFIFRK-BDAKNGLRSA-N
MW195.22 g/mol
LogP0.00
Rot. Bonds4

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

(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid (PubChem CID 10987161) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
PubChem CID10987161
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
SMILESN[C@H](Cc1ccccc1)[C@H](O)C(=O)O
InChIInChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyLDSJMFGYNFIFRK-BDAKNGLRSA-N
XLogP0.00
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic 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 (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid?
The IUPAC name of (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid (CID 10987161) is (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid.
What is the SMILES notation for (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid?
The canonical SMILES for (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid is N[C@H](Cc1ccccc1)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid?
The InChIKey is LDSJMFGYNFIFRK-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid?
(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid is sourced from PubChem (CID 10987161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).