2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid

C12H15NO4 — CID 64835910

IUPAC2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid
SMILESCC1(C)C2C(=O)N(C(C(=O)O)C3CC3)C(=O)C21
InChIInChI=1S/C12H15NO4/c1-12(2)6-7(12)10(15)13(9(6)14)8(11(16)17)5-3-4-5/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyYPTUMYDKIKBVLF-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.49
Rot. Bonds3

About 2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid

2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid (PubChem CID 64835910) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid
PubChem CID64835910
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid
SMILESCC1(C)C2C(=O)N(C(C(=O)O)C3CC3)C(=O)C21
InChIInChI=1S/C12H15NO4/c1-12(2)6-7(12)10(15)13(9(6)14)8(11(16)17)5-3-4-5/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyYPTUMYDKIKBVLF-UHFFFAOYSA-N
XLogP0.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid (CID 64835910) is 2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid is CC1(C)C2C(=O)N(C(C(=O)O)C3CC3)C(=O)C21.
What is the InChIKey of 2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid?
The InChIKey is YPTUMYDKIKBVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-12(2)6-7(12)10(15)13(9(6)14)8(11(16)17)5-3-4-5/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid?
2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid has a molecular weight of 237.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid is sourced from PubChem (CID 64835910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).