3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid

C14H16ClNO3 — CID 82880452

IUPAC3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid
SMILESCc1ccc(Cl)cc1C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C14H16ClNO3/c1-9-2-3-10(15)8-12(9)14(19)16(11-4-5-11)7-6-13(17)18/h2-3,8,11H,4-7H2,1H3,(H,17,18)
InChIKeyUZNKGUOURQJRLP-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.73
Rot. Bonds5

About 3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid

3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid (PubChem CID 82880452) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid
PubChem CID82880452
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid
SMILESCc1ccc(Cl)cc1C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C14H16ClNO3/c1-9-2-3-10(15)8-12(9)14(19)16(11-4-5-11)7-6-13(17)18/h2-3,8,11H,4-7H2,1H3,(H,17,18)
InChIKeyUZNKGUOURQJRLP-UHFFFAOYSA-N
XLogP2.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid
CID 60845225
3-[tert-butyl-(5-chloro-2-methylbenzoyl)amino]propanoic acid
CID 82880950
3-[(4-bromo-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 60845609
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 63209469
3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid
CID 60844855
3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 54926497
5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
CID 55187434
3-[(4-bromo-2-chlorobenzoyl)-cyclopropylamino]propanoic acid
CID 60845778
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674735
3-[cyclopropyl-(4-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 107674734
3-[acetyl(cyclopropyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113115433

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid (CID 82880452) is 3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid is Cc1ccc(Cl)cc1C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid?
The InChIKey is UZNKGUOURQJRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-9-2-3-10(15)8-12(9)14(19)16(11-4-5-11)7-6-13(17)18/h2-3,8,11H,4-7H2,1H3,(H,17,18).
What are the key properties of 3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid?
3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid has a molecular weight of 281.74 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 82880452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).