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

C13H19N5O3 — CID 79311906

IUPAC1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESNC1(CC(=O)N2CC(n3cc(C(=O)O)nn3)C2)CCCC1
InChIInChI=1S/C13H19N5O3/c14-13(3-1-2-4-13)5-11(19)17-6-9(7-17)18-8-10(12(20)21)15-16-18/h8-9H,1-7,14H2,(H,20,21)
InChIKeyDLDLVPRONFPKEJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.02
Rot. Bonds4

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

1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79311906) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79311906
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESNC1(CC(=O)N2CC(n3cc(C(=O)O)nn3)C2)CCCC1
InChIInChI=1S/C13H19N5O3/c14-13(3-1-2-4-13)5-11(19)17-6-9(7-17)18-8-10(12(20)21)15-16-18/h8-9H,1-7,14H2,(H,20,21)
InChIKeyDLDLVPRONFPKEJ-UHFFFAOYSA-N
XLogP0.02
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-[2-(1-aminocyclopentyl)acetyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid (CID 79311906) is 1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid is NC1(CC(=O)N2CC(n3cc(C(=O)O)nn3)C2)CCCC1.
What is the InChIKey of 1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is DLDLVPRONFPKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c14-13(3-1-2-4-13)5-11(19)17-6-9(7-17)18-8-10(12(20)21)15-16-18/h8-9H,1-7,14H2,(H,20,21).
What are the key properties of 1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79311906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).