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

C15H16ClNO3 — CID 119213489

IUPAC2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid
SMILESO=C(NC(C(=O)O)C1CC1)C1CC1c1ccccc1Cl
InChIInChI=1S/C15H16ClNO3/c16-12-4-2-1-3-9(12)10-7-11(10)14(18)17-13(15(19)20)8-5-6-8/h1-4,8,10-11,13H,5-7H2,(H,17,18)(H,19,20)
InChIKeyVTQAIUNQCQFLFZ-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.42
Rot. Bonds5

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

2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid (PubChem CID 119213489) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid
PubChem CID119213489
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid
SMILESO=C(NC(C(=O)O)C1CC1)C1CC1c1ccccc1Cl
InChIInChI=1S/C15H16ClNO3/c16-12-4-2-1-3-9(12)10-7-11(10)14(18)17-13(15(19)20)8-5-6-8/h1-4,8,10-11,13H,5-7H2,(H,17,18)(H,19,20)
InChIKeyVTQAIUNQCQFLFZ-UHFFFAOYSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.42
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]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid (CID 119213489) is 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid is O=C(NC(C(=O)O)C1CC1)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid?
The InChIKey is VTQAIUNQCQFLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-12-4-2-1-3-9(12)10-7-11(10)14(18)17-13(15(19)20)8-5-6-8/h1-4,8,10-11,13H,5-7H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid?
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid has a molecular weight of 293.75 g/mol, XLogP of 2.42, 5 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]-2-cyclopropylacetic acid is sourced from PubChem (CID 119213489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).