1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C11H16N4O4 — CID 83095029

IUPAC1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOc1n[nH]c(NC(=O)CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C11H16N4O4/c1-19-10-13-9(14-15-10)12-7(16)6-11(8(17)18)4-2-3-5-11/h2-6H2,1H3,(H,17,18)(H2,12,13,14,15,16)
InChIKeyAYILREJKJIVCTI-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.79
Rot. Bonds5

About 1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 83095029) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID83095029
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOc1n[nH]c(NC(=O)CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C11H16N4O4/c1-19-10-13-9(14-15-10)12-7(16)6-11(8(17)18)4-2-3-5-11/h2-6H2,1H3,(H,17,18)(H2,12,13,14,15,16)
InChIKeyAYILREJKJIVCTI-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 83095029) is 1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is COc1n[nH]c(NC(=O)CC2(C(=O)O)CCCC2)n1.
What is the InChIKey of 1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is AYILREJKJIVCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-19-10-13-9(14-15-10)12-7(16)6-11(8(17)18)4-2-3-5-11/h2-6H2,1H3,(H,17,18)(H2,12,13,14,15,16).
What are the key properties of 1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83095029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).