1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid

C16H21NO3 — CID 115432966

IUPAC1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCc1ccccc1C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C16H21NO3/c1-2-12-7-3-4-8-13(12)14(18)17-11-16(15(19)20)9-5-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,18)(H,19,20)
InChIKeySDZHVMKLPIMTPF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.62
Rot. Bonds5

About 1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115432966) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115432966
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCc1ccccc1C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C16H21NO3/c1-2-12-7-3-4-8-13(12)14(18)17-11-16(15(19)20)9-5-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,18)(H,19,20)
InChIKeySDZHVMKLPIMTPF-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445899
1-[[[2-(2-methylphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367155
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866
1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298
1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445182
1-[[[2-(2-chlorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362454
1-[[[2-(difluoromethoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544682
1-[[[2-(trifluoromethoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543771
1-[[(2-chloro-3-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435717
1-[[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102810291
1-[[(2-prop-2-enoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544590
1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369097

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 115432966) is 1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid is CCc1ccccc1C(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is SDZHVMKLPIMTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-12-7-3-4-8-13(12)14(18)17-11-16(15(19)20)9-5-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115432966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).