1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid

C11H16N4O3 — CID 54885875

IUPAC1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCc1ncn[nH]1
InChIInChI=1S/C11H16N4O3/c16-9(12-6-8-13-7-14-15-8)5-11(10(17)18)3-1-2-4-11/h7H,1-6H2,(H,12,16)(H,17,18)(H,13,14,15)
InChIKeyNONPKRNQYCFQOG-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.46
Rot. Bonds5

About 1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 54885875) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid
PubChem CID54885875
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCc1ncn[nH]1
InChIInChI=1S/C11H16N4O3/c16-9(12-6-8-13-7-14-15-8)5-11(10(17)18)3-1-2-4-11/h7H,1-6H2,(H,12,16)(H,17,18)(H,13,14,15)
InChIKeyNONPKRNQYCFQOG-UHFFFAOYSA-N
XLogP0.46
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid (CID 54885875) is 1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)NCc1ncn[nH]1.
What is the InChIKey of 1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is NONPKRNQYCFQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-9(12-6-8-13-7-14-15-8)5-11(10(17)18)3-1-2-4-11/h7H,1-6H2,(H,12,16)(H,17,18)(H,13,14,15).
What are the key properties of 1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54885875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).