5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid

C14H20N4O3 — CID 82202469

IUPAC5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid
SMILESO=C(Cn1nnc(C(=O)O)c1C1CCC1)NC1CCCC1
InChIInChI=1S/C14H20N4O3/c19-11(15-10-6-1-2-7-10)8-18-13(9-4-3-5-9)12(14(20)21)16-17-18/h9-10H,1-8H2,(H,15,19)(H,20,21)
InChIKeyXCOBEGLNSSVWER-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.30
Rot. Bonds5

About 5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid

5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid (PubChem CID 82202469) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid
PubChem CID82202469
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid
SMILESO=C(Cn1nnc(C(=O)O)c1C1CCC1)NC1CCCC1
InChIInChI=1S/C14H20N4O3/c19-11(15-10-6-1-2-7-10)8-18-13(9-4-3-5-9)12(14(20)21)16-17-18/h9-10H,1-8H2,(H,15,19)(H,20,21)
InChIKeyXCOBEGLNSSVWER-UHFFFAOYSA-N
XLogP1.30
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 63099079
1-[2-(cyclopentylamino)-2-oxoethyl]-5-(difluoromethyl)triazole-4-carboxylic acid
CID 102644652
5-cyclobutyl-1-[2-(4-fluoroanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 94935481
1-[2-(cyclopropylamino)-2-oxoethyl]-5-methyltriazole-4-carboxylic acid
CID 62054731
1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid
CID 62053741
1-[2-(cyclopropylamino)-2-oxoethyl]-5-ethyltriazole-4-carboxylic acid
CID 62061081
5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid
CID 165475519
5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid
CID 82210566
5-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 63099077
5-cyclopropyl-1-ethyltriazole-4-carboxylic acid
CID 62055602
1-[2-[butyl(methyl)amino]-2-oxoethyl]-5-cyclobutyltriazole-4-carboxylic acid
CID 82202464
5-cyclopropyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 94935426

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid?
The IUPAC name of 5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid (CID 82202469) is 5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid is O=C(Cn1nnc(C(=O)O)c1C1CCC1)NC1CCCC1.
What is the InChIKey of 5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid?
The InChIKey is XCOBEGLNSSVWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-11(15-10-6-1-2-7-10)8-18-13(9-4-3-5-9)12(14(20)21)16-17-18/h9-10H,1-8H2,(H,15,19)(H,20,21).
What are the key properties of 5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid?
5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 82202469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).