2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid

C10H10N4O4 — CID 113313884

IUPAC2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CN2C(=O)C3CC3C2=O)nn1
InChIInChI=1S/C10H10N4O4/c15-8(16)4-13-2-5(11-12-13)3-14-9(17)6-1-7(6)10(14)18/h2,6-7H,1,3-4H2,(H,15,16)
InChIKeyKYGLHMBSVNQFOQ-UHFFFAOYSA-N
MW250.21 g/mol
LogP-1.13
Rot. Bonds4

About 2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid

2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid (PubChem CID 113313884) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid
PubChem CID113313884
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CN2C(=O)C3CC3C2=O)nn1
InChIInChI=1S/C10H10N4O4/c15-8(16)4-13-2-5(11-12-13)3-14-9(17)6-1-7(6)10(14)18/h2,6-7H,1,3-4H2,(H,15,16)
InChIKeyKYGLHMBSVNQFOQ-UHFFFAOYSA-N
XLogP-1.13
TPSA105.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[4-[(3-methyl-2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]acetic acid
CID 113313885
2-(4-ethyltriazol-1-yl)acetic acid
CID 67477110
2-[4-(2,5-dihydropyrrol-1-ylmethyl)triazol-1-yl]acetic acid
CID 115458808
2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid
CID 154763081
1-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]triazole-4-carboxylic acid
CID 64836407
2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 114824565
2-[4-(benzimidazol-1-ylmethyl)triazol-1-yl]acetic acid
CID 167778646
2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458679
2-[4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115457463
2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113314016
2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458139
2-[4-[(cycloheptylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458494

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid (CID 113313884) is 2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(CN2C(=O)C3CC3C2=O)nn1.
What is the InChIKey of 2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid?
The InChIKey is KYGLHMBSVNQFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c15-8(16)4-13-2-5(11-12-13)3-14-9(17)6-1-7(6)10(14)18/h2,6-7H,1,3-4H2,(H,15,16).
What are the key properties of 2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid?
2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid has a molecular weight of 250.21 g/mol, XLogP of -1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 113313884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).