3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid

C13H14ClNO3 — CID 81362129

IUPAC3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H14ClNO3/c14-10-5-3-9(4-6-10)13(18)15-11(7-12(16)17)8-1-2-8/h3-6,8,11H,1-2,7H2,(H,15,18)(H,16,17)
InChIKeyNRFHRURTSBNHDN-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.32
Rot. Bonds5

About 3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid

3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid (PubChem CID 81362129) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid
PubChem CID81362129
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H14ClNO3/c14-10-5-3-9(4-6-10)13(18)15-11(7-12(16)17)8-1-2-8/h3-6,8,11H,1-2,7H2,(H,15,18)(H,16,17)
InChIKeyNRFHRURTSBNHDN-UHFFFAOYSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid
CID 81362646
3-cyclopropyl-3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343445
3-cyclopropyl-3-[(2,4-difluorobenzoyl)amino]propanoic acid
CID 81362386
3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-3-cyclopropylpropanoic acid
CID 81368494
3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid
CID 81368878
3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710846
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
3-[(3-cyanobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 81361638
3-[(5-bromothiophene-3-carbonyl)amino]-3-cyclopropylpropanoic acid
CID 81361728
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
CID 114908376
3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 114038732

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid (CID 81362129) is 3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid is O=C(O)CC(NC(=O)c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid?
The InChIKey is NRFHRURTSBNHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-10-5-3-9(4-6-10)13(18)15-11(7-12(16)17)8-1-2-8/h3-6,8,11H,1-2,7H2,(H,15,18)(H,16,17).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid?
3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid has a molecular weight of 267.71 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 81362129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).