2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid

C11H16N4O4 — CID 114824565

IUPAC2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCC1CC(C(=O)NCc2cn(CC(=O)O)nn2)CO1
InChIInChI=1S/C11H16N4O4/c1-7-2-8(6-19-7)11(18)12-3-9-4-15(14-13-9)5-10(16)17/h4,7-8H,2-3,5-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyLFDXOZSPHVJTLB-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.60
Rot. Bonds5

About 2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 114824565) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID114824565
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCC1CC(C(=O)NCc2cn(CC(=O)O)nn2)CO1
InChIInChI=1S/C11H16N4O4/c1-7-2-8(6-19-7)11(18)12-3-9-4-15(14-13-9)5-10(16)17/h4,7-8H,2-3,5-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyLFDXOZSPHVJTLB-UHFFFAOYSA-N
XLogP-0.60
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid (CID 114824565) is 2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid is CC1CC(C(=O)NCc2cn(CC(=O)O)nn2)CO1.
What is the InChIKey of 2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is LFDXOZSPHVJTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7-2-8(6-19-7)11(18)12-3-9-4-15(14-13-9)5-10(16)17/h4,7-8H,2-3,5-6H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 268.27 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 114824565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).