(2S,3R)-2-amino-3-phenylmethoxybutanoic acid

C11H15NO3 — CID 6951054

IUPAC(2S,3R)-2-amino-3-phenylmethoxybutanoic acid
SMILESC[C@@H](OCc1ccccc1)[C@H](N)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1
InChIKeyONOURAAVVKGJNM-SCZZXKLOSA-N
MW209.25 g/mol
LogP1.00
Rot. Bonds5

About (2S,3R)-2-amino-3-phenylmethoxybutanoic acid

(2S,3R)-2-amino-3-phenylmethoxybutanoic acid (PubChem CID 6951054) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-phenylmethoxybutanoic acid
PubChem CID6951054
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2S,3R)-2-amino-3-phenylmethoxybutanoic acid
SMILESC[C@@H](OCc1ccccc1)[C@H](N)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1
InChIKeyONOURAAVVKGJNM-SCZZXKLOSA-N
XLogP1.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-2-amino-3-phenylmethoxybutanoic 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)-2-amino-3-phenylmethoxybutanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-phenylmethoxybutanoic acid (CID 6951054) is (2S,3R)-2-amino-3-phenylmethoxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-phenylmethoxybutanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-phenylmethoxybutanoic acid is C[C@@H](OCc1ccccc1)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-phenylmethoxybutanoic acid?
The InChIKey is ONOURAAVVKGJNM-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-phenylmethoxybutanoic acid?
(2S,3R)-2-amino-3-phenylmethoxybutanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-phenylmethoxybutanoic acid is sourced from PubChem (CID 6951054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).