1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid

C15H23N3O2 — CID 79571759

IUPAC1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCc1nccn1CCC1CCCC1(NC1CC1)C(=O)O
InChIInChI=1S/C15H23N3O2/c1-11-16-8-10-18(11)9-6-12-3-2-7-15(12,14(19)20)17-13-4-5-13/h8,10,12-13,17H,2-7,9H2,1H3,(H,19,20)
InChIKeyYFCMDNAIAALJNA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.96
Rot. Bonds6

About 1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79571759) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79571759
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCc1nccn1CCC1CCCC1(NC1CC1)C(=O)O
InChIInChI=1S/C15H23N3O2/c1-11-16-8-10-18(11)9-6-12-3-2-7-15(12,14(19)20)17-13-4-5-13/h8,10,12-13,17H,2-7,9H2,1H3,(H,19,20)
InChIKeyYFCMDNAIAALJNA-UHFFFAOYSA-N
XLogP1.96
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid (CID 79571759) is 1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid is Cc1nccn1CCC1CCCC1(NC1CC1)C(=O)O.
What is the InChIKey of 1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is YFCMDNAIAALJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-16-8-10-18(11)9-6-12-3-2-7-15(12,14(19)20)17-13-4-5-13/h8,10,12-13,17H,2-7,9H2,1H3,(H,19,20).
What are the key properties of 1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79571759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).