(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid

C12H13NO4 — CID 107832797

IUPAC(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
SMILESO=C(/C=C/c1ccccc1)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H13NO4/c14-10(12(16)17)8-13-11(15)7-6-9-4-2-1-3-5-9/h1-7,10,14H,8H2,(H,13,15)(H,16,17)/b7-6+/t10-/m0/s1
InChIKeyGLOZKPPJCDZIJH-FGEFZZPRSA-N
MW235.24 g/mol
LogP0.26
Rot. Bonds5

About (2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid

(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid (PubChem CID 107832797) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
PubChem CID107832797
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
SMILESO=C(/C=C/c1ccccc1)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H13NO4/c14-10(12(16)17)8-13-11(15)7-6-9-4-2-1-3-5-9/h1-7,10,14H,8H2,(H,13,15)(H,16,17)/b7-6+/t10-/m0/s1
InChIKeyGLOZKPPJCDZIJH-FGEFZZPRSA-N
XLogP0.26
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic 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

3-[3-(4-fluorophenyl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113763
3-[3-(3-bromophenyl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113748
(2S)-2-hydroxy-4-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 107833894
(Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide
CID 92526146
tris((E)-N-[(2R)-2-hydroxybutyl]-3-phenylprop-2-enamide);hydrate
CID 139062706
(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide
CID 63733129
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-phenylprop-2-enamide
CID 171158551
methyl 2-hydroxy-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoate
CID 103879653
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid (CID 107832797) is (2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid is O=C(/C=C/c1ccccc1)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid?
The InChIKey is GLOZKPPJCDZIJH-FGEFZZPRSA-N. The full InChI is InChI=1S/C12H13NO4/c14-10(12(16)17)8-13-11(15)7-6-9-4-2-1-3-5-9/h1-7,10,14H,8H2,(H,13,15)(H,16,17)/b7-6+/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid?
(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid is sourced from PubChem (CID 107832797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).