2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid

C14H22N4O3 — CID 61070950

IUPAC2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(NC(=O)CC1(CC(=O)O)CCCC1)c1nncn1C
InChIInChI=1S/C14H22N4O3/c1-10(13-17-15-9-18(13)2)16-11(19)7-14(8-12(20)21)5-3-4-6-14/h9-10H,3-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyUTDHVTLLQLLDKL-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.42
Rot. Bonds6

About 2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61070950) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61070950
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(NC(=O)CC1(CC(=O)O)CCCC1)c1nncn1C
InChIInChI=1S/C14H22N4O3/c1-10(13-17-15-9-18(13)2)16-11(19)7-14(8-12(20)21)5-3-4-6-14/h9-10H,3-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyUTDHVTLLQLLDKL-UHFFFAOYSA-N
XLogP1.42
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61070950) is 2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid is CC(NC(=O)CC1(CC(=O)O)CCCC1)c1nncn1C.
What is the InChIKey of 2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is UTDHVTLLQLLDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(13-17-15-9-18(13)2)16-11(19)7-14(8-12(20)21)5-3-4-6-14/h9-10H,3-8H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61070950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).