2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid

C15H20N2O3 — CID 81322034

IUPAC2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESNCc1ccccc1CC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C15H20N2O3/c16-9-11-5-2-1-4-10(11)8-14(18)17-13-7-3-6-12(13)15(19)20/h1-2,4-5,12-13H,3,6-9,16H2,(H,17,18)(H,19,20)
InChIKeyUJZPICSMJIWFLG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.06
Rot. Bonds5

About 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid

2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 81322034) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID81322034
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESNCc1ccccc1CC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C15H20N2O3/c16-9-11-5-2-1-4-10(11)8-14(18)17-13-7-3-6-12(13)15(19)20/h1-2,4-5,12-13H,3,6-9,16H2,(H,17,18)(H,19,20)
InChIKeyUJZPICSMJIWFLG-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-chlorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812051
2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 64816023
N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide
CID 62957100
2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64818051
2-[3-(2-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812084
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
CID 76978544
2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 126584625
2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 64814362
2-amino-N-(2-phenylcyclopentyl)acetamide
CID 119323270

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid (CID 81322034) is 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid is NCc1ccccc1CC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is UJZPICSMJIWFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-9-11-5-2-1-4-10(11)8-14(18)17-13-7-3-6-12(13)15(19)20/h1-2,4-5,12-13H,3,6-9,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81322034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).