1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid

C11H17N5O3 — CID 107500233

IUPAC1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid
SMILESNC1CCC(C(=O)NCCn2cc(C(=O)O)nn2)C1
InChIInChI=1S/C11H17N5O3/c12-8-2-1-7(5-8)10(17)13-3-4-16-6-9(11(18)19)14-15-16/h6-8H,1-5,12H2,(H,13,17)(H,18,19)
InChIKeyADMGQJYBSGLRBM-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.78
Rot. Bonds5

About 1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 107500233) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID107500233
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid
SMILESNC1CCC(C(=O)NCCn2cc(C(=O)O)nn2)C1
InChIInChI=1S/C11H17N5O3/c12-8-2-1-7(5-8)10(17)13-3-4-16-6-9(11(18)19)14-15-16/h6-8H,1-5,12H2,(H,13,17)(H,18,19)
InChIKeyADMGQJYBSGLRBM-UHFFFAOYSA-N
XLogP-0.78
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 133120673
1-[2-[(4-carbamoylcyclohexyl)amino]ethyl]triazole-4-carboxylic acid
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3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid
CID 107500199
1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid
CID 83020136
1-[(3-aminocyclobutyl)methyl]triazole-4-carboxylic acid
CID 165440494
1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid
CID 107500251
4-amino-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 114130686
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119850090
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850859
1-[2-(6-aminohexanoylamino)ethyl]triazole-4-carboxylic acid
CID 107500147

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid (CID 107500233) is 1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid is NC1CCC(C(=O)NCCn2cc(C(=O)O)nn2)C1.
What is the InChIKey of 1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is ADMGQJYBSGLRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c12-8-2-1-7(5-8)10(17)13-3-4-16-6-9(11(18)19)14-15-16/h6-8H,1-5,12H2,(H,13,17)(H,18,19).
What are the key properties of 1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 107500233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).