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

C15H25N3O2 — CID 79571334

IUPAC2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCc1nccn1CCC1CCCC1(NC(C)C)C(=O)O
InChIInChI=1S/C15H25N3O2/c1-11(2)17-15(14(19)20)7-4-5-13(15)6-9-18-10-8-16-12(18)3/h8,10-11,13,17H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyVCLZPGVOQUMMRH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.20
Rot. Bonds6

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

2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 79571334) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID79571334
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCc1nccn1CCC1CCCC1(NC(C)C)C(=O)O
InChIInChI=1S/C15H25N3O2/c1-11(2)17-15(14(19)20)7-4-5-13(15)6-9-18-10-8-16-12(18)3/h8,10-11,13,17H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyVCLZPGVOQUMMRH-UHFFFAOYSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79571759
2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79571204
[1-(methylamino)-2-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclopentyl]methanol
CID 79571468
1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxamide
CID 79571409
1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79571562
methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate
CID 79570989
1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole
CID 131020982
1-(propan-2-ylamino)-2-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 79575874
1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79582092
1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid
CID 79588108
1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 84657338
methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79571778

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (CID 79571334) is 2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is Cc1nccn1CCC1CCCC1(NC(C)C)C(=O)O.
What is the InChIKey of 2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is VCLZPGVOQUMMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)17-15(14(19)20)7-4-5-13(15)6-9-18-10-8-16-12(18)3/h8,10-11,13,17H,4-7,9H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79571334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).