3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid

C12H15NO4 — CID 169084038

IUPAC3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)OCCC(=O)O
InChIInChI=1S/C12H15NO4/c13-10(8-9-4-2-1-3-5-9)12(16)17-7-6-11(14)15/h1-5,10H,6-8,13H2,(H,14,15)/t10-/m0/s1
InChIKeyRFXSQASXWNLXGY-JTQLQIEISA-N
MW237.25 g/mol
LogP0.57
Rot. Bonds6

About 3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid

3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid (PubChem CID 169084038) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid.

Molecular Properties

Compound Name3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid
PubChem CID169084038
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)OCCC(=O)O
InChIInChI=1S/C12H15NO4/c13-10(8-9-4-2-1-3-5-9)12(16)17-7-6-11(14)15/h1-5,10H,6-8,13H2,(H,14,15)/t10-/m0/s1
InChIKeyRFXSQASXWNLXGY-JTQLQIEISA-N
XLogP0.57
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic 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

4-[(2R)-2-amino-3-phenylpropanoyl]oxybutanoic acid
CID 174208096
3-[(2S)-2-amino-3-phenylpropanoyl]oxypropyl (2S)-2-amino-3-phenylpropanoate
CID 100951987
2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate
CID 58112359
2-bromoethyl (2S)-2-amino-3-phenylpropanoate
CID 14217156
2-[4-[2-[(2S)-2-amino-3-phenylpropanoyl]oxyethyl]phenyl]ethyl (2S)-2-amino-3-phenylpropanoate
CID 102020436
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
butyl (2S)-2-amino-3-phenylpropanoate
CID 11402655
4-hydroxybutyl (2S)-2-amino-3-phenylpropanoate
CID 3035673
3-methylbutyl 2-amino-3-phenylpropanoate
CID 61278471
3-methoxypropyl (2S)-2-amino-3-phenylpropanoate
CID 61278803
CID 175525029
CID 175525029
docosyl (2S)-2-amino-3-phenylpropanoate
CID 139923900

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid?
The IUPAC name of 3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid (CID 169084038) is 3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid.
What is the SMILES notation for 3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid?
The canonical SMILES for 3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid is N[C@@H](Cc1ccccc1)C(=O)OCCC(=O)O.
What is the InChIKey of 3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid?
The InChIKey is RFXSQASXWNLXGY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO4/c13-10(8-9-4-2-1-3-5-9)12(16)17-7-6-11(14)15/h1-5,10H,6-8,13H2,(H,14,15)/t10-/m0/s1.
What are the key properties of 3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid?
3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid is sourced from PubChem (CID 169084038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).