2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid

C11H16N4O3 — CID 18873850

IUPAC2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ncn[nH]2)CCCC1
InChIInChI=1S/C11H16N4O3/c16-8(14-10-12-7-13-15-10)5-11(6-9(17)18)3-1-2-4-11/h7H,1-6H2,(H,17,18)(H2,12,13,14,15,16)
InChIKeyNYHDSTFZRGPIKF-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.17
Rot. Bonds5

About 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 18873850) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid
PubChem CID18873850
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ncn[nH]2)CCCC1
InChIInChI=1S/C11H16N4O3/c16-8(14-10-12-7-13-15-10)5-11(6-9(17)18)3-1-2-4-11/h7H,1-6H2,(H,17,18)(H2,12,13,14,15,16)
InChIKeyNYHDSTFZRGPIKF-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid (CID 18873850) is 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)Nc2ncn[nH]2)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is NYHDSTFZRGPIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-8(14-10-12-7-13-15-10)5-11(6-9(17)18)3-1-2-4-11/h7H,1-6H2,(H,17,18)(H2,12,13,14,15,16).
What are the key properties of 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 18873850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).