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

C15H18ClNO3 — CID 119202570

IUPAC2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H18ClNO3/c1-10(15(19)20)17(13-7-8-13)14(18)9-4-11-2-5-12(16)6-3-11/h2-3,5-6,10,13H,4,7-9H2,1H3,(H,19,20)
InChIKeyNSKPXTHSZUAPSQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.74
Rot. Bonds6

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

2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid (PubChem CID 119202570) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid
PubChem CID119202570
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H18ClNO3/c1-10(15(19)20)17(13-7-8-13)14(18)9-4-11-2-5-12(16)6-3-11/h2-3,5-6,10,13H,4,7-9H2,1H3,(H,19,20)
InChIKeyNSKPXTHSZUAPSQ-UHFFFAOYSA-N
XLogP2.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid (CID 119202570) is 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid is CC(C(=O)O)N(C(=O)CCc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid?
The InChIKey is NSKPXTHSZUAPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10(15(19)20)17(13-7-8-13)14(18)9-4-11-2-5-12(16)6-3-11/h2-3,5-6,10,13H,4,7-9H2,1H3,(H,19,20).
What are the key properties of 2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid?
2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid has a molecular weight of 295.77 g/mol, XLogP of 2.74, 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]propanoic acid is sourced from PubChem (CID 119202570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).