3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid

C11H16N4O4 — CID 103551160

IUPAC3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCOc1n[nH]c(NC(=O)C2CCC(C(=O)O)C2)n1
InChIInChI=1S/C11H16N4O4/c1-2-19-11-13-10(14-15-11)12-8(16)6-3-4-7(5-6)9(17)18/h6-7H,2-5H2,1H3,(H,17,18)(H2,12,13,14,15,16)
InChIKeyWNKXYDDTEKWNFG-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.64
Rot. Bonds5

About 3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103551160) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103551160
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCOc1n[nH]c(NC(=O)C2CCC(C(=O)O)C2)n1
InChIInChI=1S/C11H16N4O4/c1-2-19-11-13-10(14-15-11)12-8(16)6-3-4-7(5-6)9(17)18/h6-7H,2-5H2,1H3,(H,17,18)(H2,12,13,14,15,16)
InChIKeyWNKXYDDTEKWNFG-UHFFFAOYSA-N
XLogP0.64
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103551160) is 3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid is CCOc1n[nH]c(NC(=O)C2CCC(C(=O)O)C2)n1.
What is the InChIKey of 3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is WNKXYDDTEKWNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-2-19-11-13-10(14-15-11)12-8(16)6-3-4-7(5-6)9(17)18/h6-7H,2-5H2,1H3,(H,17,18)(H2,12,13,14,15,16).
What are the key properties of 3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).