2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid

C15H18ClNO3 — CID 43172537

IUPAC2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)CCc1ccccc1Cl)(C(=O)O)C1CC1
InChIInChI=1S/C15H18ClNO3/c1-15(14(19)20,11-7-8-11)17-13(18)9-6-10-4-2-3-5-12(10)16/h2-5,11H,6-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyOXXJHGZWOAHRMM-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.64
Rot. Bonds6

About 2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid

2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid (PubChem CID 43172537) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid
PubChem CID43172537
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)CCc1ccccc1Cl)(C(=O)O)C1CC1
InChIInChI=1S/C15H18ClNO3/c1-15(14(19)20,11-7-8-11)17-13(18)9-6-10-4-2-3-5-12(10)16/h2-5,11H,6-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyOXXJHGZWOAHRMM-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43360456
2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
CID 43360411
2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid
CID 43341227
2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid
CID 43360529
3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82725506
3-(2-chlorophenyl)-N-cyclopentyloxypropanamide
CID 83202593
2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
CID 75472228
2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid
CID 61181557
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide
CID 95767278
2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104547660
2-cyclopropyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43360398
2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid
CID 61161764

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid (CID 43172537) is 2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid is CC(NC(=O)CCc1ccccc1Cl)(C(=O)O)C1CC1.
What is the InChIKey of 2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid?
The InChIKey is OXXJHGZWOAHRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-15(14(19)20,11-7-8-11)17-13(18)9-6-10-4-2-3-5-12(10)16/h2-5,11H,6-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid?
2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid has a molecular weight of 295.77 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 43172537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).