(2R)-2-(methylamino)-3-phenylpropanoic acid

C10H13NO2 — CID 6427037

IUPAC(2R)-2-(methylamino)-3-phenylpropanoic acid
SMILESCN[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeySCIFESDRCALIIM-SECBINFHSA-N
MW179.22 g/mol
LogP0.90
Rot. Bonds4

About (2R)-2-(methylamino)-3-phenylpropanoic acid

(2R)-2-(methylamino)-3-phenylpropanoic acid (PubChem CID 6427037) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2R)-2-(methylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(methylamino)-3-phenylpropanoic acid
PubChem CID6427037
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2R)-2-(methylamino)-3-phenylpropanoic acid
SMILESCN[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeySCIFESDRCALIIM-SECBINFHSA-N
XLogP0.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(methylamino)-3-phenylpropanoic 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)-2-(methylamino)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(methylamino)-3-phenylpropanoic acid (CID 6427037) is (2R)-2-(methylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(methylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(methylamino)-3-phenylpropanoic acid is CN[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(methylamino)-3-phenylpropanoic acid?
The InChIKey is SCIFESDRCALIIM-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-(methylamino)-3-phenylpropanoic acid?
(2R)-2-(methylamino)-3-phenylpropanoic acid has a molecular weight of 179.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 6427037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).