2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid

C14H19NO4 — CID 82762906

IUPAC2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1N1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C14H19NO4/c1-13(2)8-9(13)11(17)15(10(8)16)7-5-4-6-14(7,3)12(18)19/h7-9H,4-6H2,1-3H3,(H,18,19)
InChIKeyFPIOVIKOMFTAHZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.27
Rot. Bonds2

About 2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid

2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82762906) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid
PubChem CID82762906
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1N1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C14H19NO4/c1-13(2)8-9(13)11(17)15(10(8)16)7-5-4-6-14(7,3)12(18)19/h7-9H,4-6H2,1-3H3,(H,18,19)
InChIKeyFPIOVIKOMFTAHZ-UHFFFAOYSA-N
XLogP1.27
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.27
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-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid (CID 82762906) is 2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1N1C(=O)C2C(C1=O)C2(C)C.
What is the InChIKey of 2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is FPIOVIKOMFTAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-13(2)8-9(13)11(17)15(10(8)16)7-5-4-6-14(7,3)12(18)19/h7-9H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid?
2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).