2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid

C14H16ClNO3 — CID 119194779

IUPAC2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)CCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H16ClNO3/c15-11-4-1-10(2-5-11)3-8-13(17)16(9-14(18)19)12-6-7-12/h1-2,4-5,12H,3,6-9H2,(H,18,19)
InChIKeyMAYLDQCGXKWCCX-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.35
Rot. Bonds6

About 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid

2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid (PubChem CID 119194779) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid
PubChem CID119194779
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)CCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H16ClNO3/c15-11-4-1-10(2-5-11)3-8-13(17)16(9-14(18)19)12-6-7-12/h1-2,4-5,12H,3,6-9H2,(H,18,19)
InChIKeyMAYLDQCGXKWCCX-UHFFFAOYSA-N
XLogP2.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic 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(3-phenylpropanoyl)amino]acetic acid
CID 54945801
2-[4-(4-chlorophenyl)sulfanylbutanoyl-cyclopropylamino]acetic acid
CID 60826867
2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid
CID 119202570
2-[(4-chlorophenyl)methylcarbamoyl-cyclopropylamino]acetic acid
CID 54978380
2-[cyclopropyl-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoyl]amino]acetic acid
CID 119194609
2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119194676
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 60826259
2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192835
2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid
CID 120517535
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid
CID 54945915
2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid
CID 60826398
4-[[(4-chlorophenyl)methyl-cyclopropylcarbamoyl]amino]butanoic acid
CID 122021537

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid (CID 119194779) is 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)CCc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid?
The InChIKey is MAYLDQCGXKWCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-11-4-1-10(2-5-11)3-8-13(17)16(9-14(18)19)12-6-7-12/h1-2,4-5,12H,3,6-9H2,(H,18,19).
What are the key properties of 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid?
2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid has a molecular weight of 281.74 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 119194779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).