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

C14H19NO4 — CID 64835528

IUPAC2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid
SMILESCC1(C)C2C(=O)N(C3(CC(=O)O)CCCC3)C(=O)C21
InChIInChI=1S/C14H19NO4/c1-13(2)9-10(13)12(19)15(11(9)18)14(7-8(16)17)5-3-4-6-14/h9-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyBCKZBJNSWXOYSA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.41
Rot. Bonds3

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

2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid (PubChem CID 64835528) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid
PubChem CID64835528
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid
SMILESCC1(C)C2C(=O)N(C3(CC(=O)O)CCCC3)C(=O)C21
InChIInChI=1S/C14H19NO4/c1-13(2)9-10(13)12(19)15(11(9)18)14(7-8(16)17)5-3-4-6-14/h9-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyBCKZBJNSWXOYSA-UHFFFAOYSA-N
XLogP1.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.41
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-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid (CID 64835528) is 2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid is CC1(C)C2C(=O)N(C3(CC(=O)O)CCCC3)C(=O)C21.
What is the InChIKey of 2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid?
The InChIKey is BCKZBJNSWXOYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-13(2)9-10(13)12(19)15(11(9)18)14(7-8(16)17)5-3-4-6-14/h9-10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid?
2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid is sourced from PubChem (CID 64835528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).