1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid

C11H16N4O3 — CID 43329486

IUPAC1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCn1ccnn1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H16N4O3/c16-9(3-7-15-8-6-12-14-15)13-11(10(17)18)4-1-2-5-11/h6,8H,1-5,7H2,(H,13,16)(H,17,18)
InChIKeyXIMXGDPAEGBNAO-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.18
Rot. Bonds5

About 1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid

1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 43329486) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID43329486
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCn1ccnn1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H16N4O3/c16-9(3-7-15-8-6-12-14-15)13-11(10(17)18)4-1-2-5-11/h6,8H,1-5,7H2,(H,13,16)(H,17,18)
InChIKeyXIMXGDPAEGBNAO-UHFFFAOYSA-N
XLogP0.18
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-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-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 43329486) is 1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCn1ccnn1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is XIMXGDPAEGBNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-9(3-7-15-8-6-12-14-15)13-11(10(17)18)4-1-2-5-11/h6,8H,1-5,7H2,(H,13,16)(H,17,18).
What are the key properties of 1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid?
1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(triazol-1-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43329486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).