1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid

C13H21N5O3 — CID 79309397

IUPAC1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESCCCN(C(=O)N1CC(n2cc(C(=O)O)nn2)C1)C(C)C
InChIInChI=1S/C13H21N5O3/c1-4-5-17(9(2)3)13(21)16-6-10(7-16)18-8-11(12(19)20)14-15-18/h8-10H,4-7H2,1-3H3,(H,19,20)
InChIKeyMWFVSYCEUKZLGR-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.07
Rot. Bonds5

About 1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid

1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79309397) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79309397
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESCCCN(C(=O)N1CC(n2cc(C(=O)O)nn2)C1)C(C)C
InChIInChI=1S/C13H21N5O3/c1-4-5-17(9(2)3)13(21)16-6-10(7-16)18-8-11(12(19)20)14-15-18/h8-10H,4-7H2,1-3H3,(H,19,20)
InChIKeyMWFVSYCEUKZLGR-UHFFFAOYSA-N
XLogP1.07
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308885
1-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 115986470
1-(1-pentylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309450
1-(1-heptanoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309145
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-(3,4,4-trimethylpentanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311252
1-[1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311070
1-[1-(3,4-dimethylpyrrolidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311104
1-[1-(5-methylhexan-2-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79316563
1-[1-(2-ethylsulfonylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311999
1-[1-(2-propoxyethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 106454766

Frequently Asked Questions

What is the IUPAC name of 1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid (CID 79309397) is 1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid is CCCN(C(=O)N1CC(n2cc(C(=O)O)nn2)C1)C(C)C.
What is the InChIKey of 1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is MWFVSYCEUKZLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-4-5-17(9(2)3)13(21)16-6-10(7-16)18-8-11(12(19)20)14-15-18/h8-10H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[propan-2-yl(propyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79309397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).