4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid

C10H14N4O4 — CID 66221171

IUPAC4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCn1ccnn1)NC1COCC1C(=O)O
InChIInChI=1S/C10H14N4O4/c15-9(1-3-14-4-2-11-13-14)12-8-6-18-5-7(8)10(16)17/h2,4,7-8H,1,3,5-6H2,(H,12,15)(H,16,17)
InChIKeyQXRDZUZCAAAGNA-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.12
Rot. Bonds5

About 4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid

4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid (PubChem CID 66221171) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid
PubChem CID66221171
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCn1ccnn1)NC1COCC1C(=O)O
InChIInChI=1S/C10H14N4O4/c15-9(1-3-14-4-2-11-13-14)12-8-6-18-5-7(8)10(16)17/h2,4,7-8H,1,3,5-6H2,(H,12,15)(H,16,17)
InChIKeyQXRDZUZCAAAGNA-UHFFFAOYSA-N
XLogP-1.12
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 ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid (CID 66221171) is 4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid is O=C(CCn1ccnn1)NC1COCC1C(=O)O.
What is the InChIKey of 4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid?
The InChIKey is QXRDZUZCAAAGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-9(1-3-14-4-2-11-13-14)12-8-6-18-5-7(8)10(16)17/h2,4,7-8H,1,3,5-6H2,(H,12,15)(H,16,17).
What are the key properties of 4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid?
4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of -1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66221171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).