2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid

C12H12ClNO3 — CID 55108280

IUPAC2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO3/c13-9-3-1-2-8(6-9)11(15)14-10(12(16)17)7-4-5-7/h1-3,6-7,10H,4-5H2,(H,14,15)(H,16,17)
InChIKeyOWTBYSUKMZWFDO-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.93
Rot. Bonds4

About 2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid

2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid (PubChem CID 55108280) has the molecular formula C12H12ClNO3 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
PubChem CID55108280
Molecular FormulaC12H12ClNO3
Molecular Weight253.69 g/mol
Exact Mass253.05
IUPAC Name2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO3/c13-9-3-1-2-8(6-9)11(15)14-10(12(16)17)7-4-5-7/h1-3,6-7,10H,4-5H2,(H,14,15)(H,16,17)
InChIKeyOWTBYSUKMZWFDO-UHFFFAOYSA-N
XLogP1.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091
3-chloro-N-(dicyclopropylmethyl)benzamide
CID 18153337
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid
CID 62697230
2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid
CID 62696710
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510
2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid
CID 103790725
2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid
CID 62694940
2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 62697280
(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 23793307
2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 4135322
2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 62695358

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid (CID 55108280) is 2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid is O=C(NC(C(=O)O)C1CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid?
The InChIKey is OWTBYSUKMZWFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c13-9-3-1-2-8(6-9)11(15)14-10(12(16)17)7-4-5-7/h1-3,6-7,10H,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid?
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid has a molecular weight of 253.69 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 55108280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).