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

C12H18N4O3 — CID 61069475

IUPAC2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ncn[nH]2)CCCC1
InChIInChI=1S/C12H18N4O3/c17-10(13-7-9-14-8-15-16-9)5-12(6-11(18)19)3-1-2-4-12/h8H,1-7H2,(H,13,17)(H,18,19)(H,14,15,16)
InChIKeyWLLXEPSSIWETQO-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.85
Rot. Bonds6

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

2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 61069475) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid
PubChem CID61069475
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ncn[nH]2)CCCC1
InChIInChI=1S/C12H18N4O3/c17-10(13-7-9-14-8-15-16-9)5-12(6-11(18)19)3-1-2-4-12/h8H,1-7H2,(H,13,17)(H,18,19)(H,14,15,16)
InChIKeyWLLXEPSSIWETQO-UHFFFAOYSA-N
XLogP0.85
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.85
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-ylmethylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid (CID 61069475) is 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCc2ncn[nH]2)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is WLLXEPSSIWETQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-10(13-7-9-14-8-15-16-9)5-12(6-11(18)19)3-1-2-4-12/h8H,1-7H2,(H,13,17)(H,18,19)(H,14,15,16).
What are the key properties of 2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.85, 6 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-ylmethylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).