2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid

C16H22N2O3 — CID 82763944

IUPAC2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ccccc1CCN
InChIInChI=1S/C16H22N2O3/c1-16(15(20)21)9-4-7-13(16)18-14(19)12-6-3-2-5-11(12)8-10-17/h2-3,5-6,13H,4,7-10,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyBUEAKRMNCMUTDF-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.56
Rot. Bonds5

About 2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid

2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763944) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763944
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ccccc1CCN
InChIInChI=1S/C16H22N2O3/c1-16(15(20)21)9-4-7-13(16)18-14(19)12-6-3-2-5-11(12)8-10-17/h2-3,5-6,13H,4,7-10,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyBUEAKRMNCMUTDF-UHFFFAOYSA-N
XLogP1.56
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83212180
2-(1H-indole-3-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82765821
2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82765655
2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760270
2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759945
2-[(3-bromo-2-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211032
2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760031
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760107
2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide
CID 83033529
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445899
2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760189

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid (CID 82763944) is 2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)c1ccccc1CCN.
What is the InChIKey of 2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is BUEAKRMNCMUTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(15(20)21)9-4-7-13(16)18-14(19)12-6-3-2-5-11(12)8-10-17/h2-3,5-6,13H,4,7-10,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).