2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid

C13H14ClNO3 — CID 119225300

IUPAC2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1CC1c1ccccc1Cl)C(=O)O
InChIInChI=1S/C13H14ClNO3/c1-7(13(17)18)15-12(16)10-6-9(10)8-4-2-3-5-11(8)14/h2-5,7,9-10H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyZJVXWPBZJRVMPY-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.03
Rot. Bonds4

About 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid

2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 119225300) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
PubChem CID119225300
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1CC1c1ccccc1Cl)C(=O)O
InChIInChI=1S/C13H14ClNO3/c1-7(13(17)18)15-12(16)10-6-9(10)8-4-2-3-5-11(8)14/h2-5,7,9-10H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyZJVXWPBZJRVMPY-UHFFFAOYSA-N
XLogP2.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid (CID 119225300) is 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid is CC(NC(=O)C1CC1c1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is ZJVXWPBZJRVMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-7(13(17)18)15-12(16)10-6-9(10)8-4-2-3-5-11(8)14/h2-5,7,9-10H,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 267.71 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 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 119225300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).