1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid

C13H21N3O2 — CID 79571562

IUPAC1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCCc1nccn1CCC1CCCC1(N)C(=O)O
InChIInChI=1S/C13H21N3O2/c1-2-11-15-7-9-16(11)8-5-10-4-3-6-13(10,14)12(17)18/h7,9-10H,2-6,8,14H2,1H3,(H,17,18)
InChIKeyFSLIKLCPJXISEO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.42
Rot. Bonds5

About 1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid

1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79571562) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79571562
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCCc1nccn1CCC1CCCC1(N)C(=O)O
InChIInChI=1S/C13H21N3O2/c1-2-11-15-7-9-16(11)8-5-10-4-3-6-13(10,14)12(17)18/h7,9-10H,2-6,8,14H2,1H3,(H,17,18)
InChIKeyFSLIKLCPJXISEO-UHFFFAOYSA-N
XLogP1.42
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid
CID 79564234
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79573740
1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79570983
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79571759
2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79571334
1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79571495
1-amino-2-propylcyclohexane-1-carboxylic acid
CID 121281708
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561520
1-cyclopentyl-2-(2-ethylimidazol-1-yl)ethanone
CID 115769665
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one
CID 99974237

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid (CID 79571562) is 1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid is CCc1nccn1CCC1CCCC1(N)C(=O)O.
What is the InChIKey of 1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is FSLIKLCPJXISEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-11-15-7-9-16(11)8-5-10-4-3-6-13(10,14)12(17)18/h7,9-10H,2-6,8,14H2,1H3,(H,17,18).
What are the key properties of 1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79571562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).