(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid

C12H14ClNO3 — CID 119943058

IUPAC(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid
SMILESCC(C(=O)N[C@@H](C)C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO3/c1-7(9-4-3-5-10(13)6-9)11(15)14-8(2)12(16)17/h3-8H,1-2H3,(H,14,15)(H,16,17)/t7?,8-/m0/s1
InChIKeyZXOUNAIJDUGHNJ-MQWKRIRWSA-N
MW255.70 g/mol
LogP2.03
Rot. Bonds4

About (2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid

(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid (PubChem CID 119943058) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is (2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid
PubChem CID119943058
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid
SMILESCC(C(=O)N[C@@H](C)C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO3/c1-7(9-4-3-5-10(13)6-9)11(15)14-8(2)12(16)17/h3-8H,1-2H3,(H,14,15)(H,16,17)/t7?,8-/m0/s1
InChIKeyZXOUNAIJDUGHNJ-MQWKRIRWSA-N
XLogP2.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[2-(3-chlorophenyl)propanoylamino]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

N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119385148
4-[2-(3-chlorophenyl)propanoylamino]-5-phenylpentanoic acid
CID 120547125
2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid
CID 67200124
cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675394
3-(3-chlorophenyl)butanoic acid
CID 71683749
2-(3-chlorophenyl)-3-fluorobutanoic acid
CID 105470514
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide
CID 47097502
(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
CID 14503812
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119478530

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid?
The IUPAC name of (2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid (CID 119943058) is (2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid is CC(C(=O)N[C@@H](C)C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of (2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid?
The InChIKey is ZXOUNAIJDUGHNJ-MQWKRIRWSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-7(9-4-3-5-10(13)6-9)11(15)14-8(2)12(16)17/h3-8H,1-2H3,(H,14,15)(H,16,17)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid?
(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid has a molecular weight of 255.70 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid is sourced from PubChem (CID 119943058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).