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

C12H18N4O4 — CID 83095027

IUPAC2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCOc1n[nH]c(NC(=O)CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C12H18N4O4/c1-20-11-14-10(15-16-11)13-8(17)6-12(7-9(18)19)4-2-3-5-12/h2-7H2,1H3,(H,18,19)(H2,13,14,15,16,17)
InChIKeyHJSZSUNDZBYBAM-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.18
Rot. Bonds6

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

2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 83095027) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID83095027
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCOc1n[nH]c(NC(=O)CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C12H18N4O4/c1-20-11-14-10(15-16-11)13-8(17)6-12(7-9(18)19)4-2-3-5-12/h2-7H2,1H3,(H,18,19)(H2,13,14,15,16,17)
InChIKeyHJSZSUNDZBYBAM-UHFFFAOYSA-N
XLogP1.18
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 83095027) is 2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid is COc1n[nH]c(NC(=O)CC2(CC(=O)O)CCCC2)n1.
What is the InChIKey of 2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is HJSZSUNDZBYBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-20-11-14-10(15-16-11)13-8(17)6-12(7-9(18)19)4-2-3-5-12/h2-7H2,1H3,(H,18,19)(H2,13,14,15,16,17).
What are the key properties of 2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 83095027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).