2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid

C11H16N4O4 — CID 114131907

IUPAC2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NCCC2CCOC2)nn1
InChIInChI=1S/C11H16N4O4/c16-10(17)6-15-5-9(13-14-15)11(18)12-3-1-8-2-4-19-7-8/h5,8H,1-4,6-7H2,(H,12,18)(H,16,17)
InChIKeyPTFUDBXDCGFIOM-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.48
Rot. Bonds6

About 2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid

2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid (PubChem CID 114131907) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
PubChem CID114131907
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NCCC2CCOC2)nn1
InChIInChI=1S/C11H16N4O4/c16-10(17)6-15-5-9(13-14-15)11(18)12-3-1-8-2-4-19-7-8/h5,8H,1-4,6-7H2,(H,12,18)(H,16,17)
InChIKeyPTFUDBXDCGFIOM-UHFFFAOYSA-N
XLogP-0.48
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-cyclohexylethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290825
2-[4-(2-cyclohexyloxyethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288158
2-[4-(oxan-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290219
2-[4-(2-ethoxyethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288954
2-[4-(2-thiomorpholin-4-ylethylcarbamoyl)triazol-1-yl]acetic acid
CID 106326770
2-[4-(3-propoxypropylcarbamoyl)triazol-1-yl]acetic acid
CID 82944582
methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
CID 129412512
2-[4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 106240403
1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide
CID 63568612
4-methoxy-N-[2-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
CID 122570420
2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219715
2-[4-[(oxan-4-ylmethylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458715

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid (CID 114131907) is 2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)NCCC2CCOC2)nn1.
What is the InChIKey of 2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid?
The InChIKey is PTFUDBXDCGFIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c16-10(17)6-15-5-9(13-14-15)11(18)12-3-1-8-2-4-19-7-8/h5,8H,1-4,6-7H2,(H,12,18)(H,16,17).
What are the key properties of 2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid?
2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid has a molecular weight of 268.27 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 114131907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).