2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid

C11H16N4O5 — CID 104764760

IUPAC2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid
SMILESCOC1(CNC(=O)c2cn(CC(=O)O)nn2)CCOC1
InChIInChI=1S/C11H16N4O5/c1-19-11(2-3-20-7-11)6-12-10(18)8-4-15(14-13-8)5-9(16)17/h4H,2-3,5-7H2,1H3,(H,12,18)(H,16,17)
InChIKeyNBQWQDDEJCVATB-UHFFFAOYSA-N
MW284.27 g/mol
LogP-1.10
Rot. Bonds6

About 2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid

2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid (PubChem CID 104764760) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid
PubChem CID104764760
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid
SMILESCOC1(CNC(=O)c2cn(CC(=O)O)nn2)CCOC1
InChIInChI=1S/C11H16N4O5/c1-19-11(2-3-20-7-11)6-12-10(18)8-4-15(14-13-8)5-9(16)17/h4H,2-3,5-7H2,1H3,(H,12,18)(H,16,17)
InChIKeyNBQWQDDEJCVATB-UHFFFAOYSA-N
XLogP-1.10
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 114120662
2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 104764761
N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 104708938
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104758395
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 104758335
2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458213
2-[4-(2-ethoxyethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288954
2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 114131907
N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
CID 138035045

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid (CID 104764760) is 2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid is COC1(CNC(=O)c2cn(CC(=O)O)nn2)CCOC1.
What is the InChIKey of 2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid?
The InChIKey is NBQWQDDEJCVATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-19-11(2-3-20-7-11)6-12-10(18)8-4-15(14-13-8)5-9(16)17/h4H,2-3,5-7H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid?
2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid has a molecular weight of 284.27 g/mol, XLogP of -1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 104764760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).