1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid

C15H20N2O3 — CID 115433634

IUPAC1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESNCc1ccc(C(=O)NCC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c16-9-11-3-5-12(6-4-11)13(18)17-10-15(14(19)20)7-1-2-8-15/h3-6H,1-2,7-10,16H2,(H,17,18)(H,19,20)
InChIKeyGYPKZEDIELZYKT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.52
Rot. Bonds5

About 1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433634) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433634
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESNCc1ccc(C(=O)NCC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c16-9-11-3-5-12(6-4-11)13(18)17-10-15(14(19)20)7-1-2-8-15/h3-6H,1-2,7-10,16H2,(H,17,18)(H,19,20)
InChIKeyGYPKZEDIELZYKT-UHFFFAOYSA-N
XLogP1.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645
1-[[[4-(methylsulfanylmethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432933
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445281
1-[[[4-(methylsulfonylmethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543837
1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445142
1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433612
1-[[[4-(trifluoromethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369259
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide
CID 119323030
1-[[(3,4-dihydroxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107728192
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride
CID 119345529

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 115433634) is 1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid is NCc1ccc(C(=O)NCC2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is GYPKZEDIELZYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-9-11-3-5-12(6-4-11)13(18)17-10-15(14(19)20)7-1-2-8-15/h3-6H,1-2,7-10,16H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).