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

C10H14N4O4 — CID 64888429

IUPAC3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCn1ccnn1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H14N4O4/c15-8(1-4-14-5-3-11-13-14)12-10(9(16)17)2-6-18-7-10/h3,5H,1-2,4,6-7H2,(H,12,15)(H,16,17)
InChIKeySURZCNBCJXRXAM-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.97
Rot. Bonds5

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

3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid (PubChem CID 64888429) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid
PubChem CID64888429
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCn1ccnn1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H14N4O4/c15-8(1-4-14-5-3-11-13-14)12-10(9(16)17)2-6-18-7-10/h3,5H,1-2,4,6-7H2,(H,12,15)(H,16,17)
InChIKeySURZCNBCJXRXAM-UHFFFAOYSA-N
XLogP-0.97
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-(triazol-1-yl)propanoylamino]oxolane-3-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 3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid (CID 64888429) is 3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid is O=C(CCn1ccnn1)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid?
The InChIKey is SURZCNBCJXRXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-8(1-4-14-5-3-11-13-14)12-10(9(16)17)2-6-18-7-10/h3,5H,1-2,4,6-7H2,(H,12,15)(H,16,17).
What are the key properties of 3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid?
3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of -0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).