2-amino-3-phenylpropanoic acid

C9H11NO2 — CID 994

IUPAC2-amino-3-phenylpropanoic acid
SMILESNC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
InChIKeyCOLNVLDHVKWLRT-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.64
Rot. Bonds3

About 2-amino-3-phenylpropanoic acid

2-amino-3-phenylpropanoic acid (PubChem CID 994) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-amino-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-phenylpropanoic acid
PubChem CID994
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-amino-3-phenylpropanoic acid
SMILESNC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
InChIKeyCOLNVLDHVKWLRT-UHFFFAOYSA-N
XLogP0.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-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

Related Compounds

L-Phenylalanine
CID 6140
D-Phenylalanine
CID 71567
Fenclonine
CID 4652
N-Acetyl-L-phenylalanine
CID 74839
Phenibut
CID 14113
p-Fluorophenylalanine
CID 4654
L-Phenylglycine
CID 99291
4-Aminophenylalanine
CID 151001
Ibuprofen Lysine
CID 9841440
Phenylglycine, D-
CID 70134
2-Phenylglycine
CID 3866
4-Chloro-L-phenylalanine
CID 736190

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropanoic acid?
The IUPAC name of 2-amino-3-phenylpropanoic acid (CID 994) is 2-amino-3-phenylpropanoic acid.
What is the SMILES notation for 2-amino-3-phenylpropanoic acid?
The canonical SMILES for 2-amino-3-phenylpropanoic acid is NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-3-phenylpropanoic acid?
The InChIKey is COLNVLDHVKWLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12).
What are the key properties of 2-amino-3-phenylpropanoic acid?
2-amino-3-phenylpropanoic acid has a molecular weight of 165.19 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropanoic acid is sourced from PubChem (CID 994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).