2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid

C14H17NO3 — CID 136550006

IUPAC2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid
SMILESCc1ccc(C)c(C(=O)NC2(CC(=O)O)CC2)c1
InChIInChI=1S/C14H17NO3/c1-9-3-4-10(2)11(7-9)13(18)15-14(5-6-14)8-12(16)17/h3-4,7H,5-6,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyCGOVJHNRNDLTCQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.04
Rot. Bonds4

About 2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid

2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid (PubChem CID 136550006) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid
PubChem CID136550006
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid
SMILESCc1ccc(C)c(C(=O)NC2(CC(=O)O)CC2)c1
InChIInChI=1S/C14H17NO3/c1-9-3-4-10(2)11(7-9)13(18)15-14(5-6-14)8-12(16)17/h3-4,7H,5-6,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyCGOVJHNRNDLTCQ-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid
CID 91835801
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid
CID 119217146
2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845476
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
2-[4-[(4-bromo-2,5-dimethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 120521397
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79845790
2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64686291

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid (CID 136550006) is 2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid is Cc1ccc(C)c(C(=O)NC2(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid?
The InChIKey is CGOVJHNRNDLTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-3-4-10(2)11(7-9)13(18)15-14(5-6-14)8-12(16)17/h3-4,7H,5-6,8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid?
2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid has a molecular weight of 247.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid is sourced from PubChem (CID 136550006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).