1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid

C14H23N3O2 — CID 79648637

IUPAC1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCCCc1nccn1C1CCC(NCC)(C(=O)O)C1
InChIInChI=1S/C14H23N3O2/c1-3-5-12-15-8-9-17(12)11-6-7-14(10-11,13(18)19)16-4-2/h8-9,11,16H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyHJHBXPLTSRHSQF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.99
Rot. Bonds6

About 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid

1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79648637) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79648637
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCCCc1nccn1C1CCC(NCC)(C(=O)O)C1
InChIInChI=1S/C14H23N3O2/c1-3-5-12-15-8-9-17(12)11-6-7-14(10-11,13(18)19)16-4-2/h8-9,11,16H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyHJHBXPLTSRHSQF-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79651601
1-(ethylamino)-3-(2-ethylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79637528
1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79634409
[1-(methylamino)-3-(2-propylimidazol-1-yl)cyclopentyl]methanol
CID 79644477
1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile
CID 79625295
1-(propylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carbonitrile
CID 79638335
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554
1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651051
1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide
CID 79641725
1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxamide
CID 79648406
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole
CID 79920205
1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 114596405

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid (CID 79648637) is 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid is CCCc1nccn1C1CCC(NCC)(C(=O)O)C1.
What is the InChIKey of 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is HJHBXPLTSRHSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-12-15-8-9-17(12)11-6-7-14(10-11,13(18)19)16-4-2/h8-9,11,16H,3-7,10H2,1-2H3,(H,18,19).
What are the key properties of 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid?
1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79648637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).