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

C12H19N3O2 — CID 79651601

IUPAC1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(n2ccnc2C)C1
InChIInChI=1S/C12H19N3O2/c1-3-14-12(11(16)17)5-4-10(8-12)15-7-6-13-9(15)2/h6-7,10,14H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyDTDFSTRJMMCGLF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.35
Rot. Bonds4

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

1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79651601) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79651601
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(n2ccnc2C)C1
InChIInChI=1S/C12H19N3O2/c1-3-14-12(11(16)17)5-4-10(8-12)15-7-6-13-9(15)2/h6-7,10,14H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyDTDFSTRJMMCGLF-UHFFFAOYSA-N
XLogP1.35
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid (CID 79651601) is 1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(n2ccnc2C)C1.
What is the InChIKey of 1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is DTDFSTRJMMCGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-14-12(11(16)17)5-4-10(8-12)15-7-6-13-9(15)2/h6-7,10,14H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid?
1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79651601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).