1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid

C10H14N4O3 — CID 79308885

IUPAC1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCC(C)C(=O)N1CC(n2cc(C(=O)O)nn2)C1
InChIInChI=1S/C10H14N4O3/c1-6(2)9(15)13-3-7(4-13)14-5-8(10(16)17)11-12-14/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyQJMGPXYSJNOSAC-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.02
Rot. Bonds3

About 1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid

1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79308885) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79308885
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCC(C)C(=O)N1CC(n2cc(C(=O)O)nn2)C1
InChIInChI=1S/C10H14N4O3/c1-6(2)9(15)13-3-7(4-13)14-5-8(10(16)17)11-12-14/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyQJMGPXYSJNOSAC-UHFFFAOYSA-N
XLogP0.02
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311070
1-[1-[2-(1,2,4-triazol-1-yl)propanoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309108
1-[1-(3,4-dimethylpyrrolidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311104
1-[1-(2-amino-4-carboxybutanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311905
1-[1-(3,4,4-trimethylpentanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311252
1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309397
1-(1-prop-2-ynoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309642
1-[1-(5-methylhexan-2-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79316563
1-[1-(tert-butylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311077
1-[1-[cyclopentyl(methyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309643
1-[1-(pentan-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309678
1-[1-(2-amino-2-thiophen-2-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 115287483

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid (CID 79308885) is 1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid is CC(C)C(=O)N1CC(n2cc(C(=O)O)nn2)C1.
What is the InChIKey of 1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is QJMGPXYSJNOSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-6(2)9(15)13-3-7(4-13)14-5-8(10(16)17)11-12-14/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79308885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).