2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid

C11H12N4O4 — CID 66289994

IUPAC2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
SMILESCC(NC(=O)c1cn(CC(=O)O)nn1)c1ccco1
InChIInChI=1S/C11H12N4O4/c1-7(9-3-2-4-19-9)12-11(18)8-5-15(14-13-8)6-10(16)17/h2-5,7H,6H2,1H3,(H,12,18)(H,16,17)
InChIKeyQFFWUXPELYKUIR-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.45
Rot. Bonds5

About 2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid

2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid (PubChem CID 66289994) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
PubChem CID66289994
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
SMILESCC(NC(=O)c1cn(CC(=O)O)nn1)c1ccco1
InChIInChI=1S/C11H12N4O4/c1-7(9-3-2-4-19-9)12-11(18)8-5-15(14-13-8)6-10(16)17/h2-5,7H,6H2,1H3,(H,12,18)(H,16,17)
InChIKeyQFFWUXPELYKUIR-UHFFFAOYSA-N
XLogP0.45
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-methylhexan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288776
2-[4-(1-thiophen-2-ylpropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288982
N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401318
2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290810
2-[4-[1-(dimethylamino)propan-2-ylcarbamoyl]triazol-1-yl]acetic acid
CID 82949755
1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide
CID 95343414
2-[4-[(4-propan-2-ylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288941
2-[4-(octan-4-ylcarbamoyl)triazol-1-yl]acetic acid
CID 106021479
6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 43429242
1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide
CID 25453971
6-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 106550906
6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 103874262

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid (CID 66289994) is 2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid is CC(NC(=O)c1cn(CC(=O)O)nn1)c1ccco1.
What is the InChIKey of 2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid?
The InChIKey is QFFWUXPELYKUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-7(9-3-2-4-19-9)12-11(18)8-5-15(14-13-8)6-10(16)17/h2-5,7H,6H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid?
2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid has a molecular weight of 264.24 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 66289994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).