5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid

C8H10ClNO3 — CID 91371121

IUPAC5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid
SMILESO=C(Cl)C1CCC2(CC2)N1C(=O)O
InChIInChI=1S/C8H10ClNO3/c9-6(11)5-1-2-8(3-4-8)10(5)7(12)13/h5H,1-4H2,(H,12,13)
InChIKeyVZMIBHHOICCIQW-UHFFFAOYSA-N
MW203.62 g/mol
LogP1.43
Rot. Bonds1

About 5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid

5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid (PubChem CID 91371121) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid.

Molecular Properties

Compound Name5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid
PubChem CID91371121
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid
SMILESO=C(Cl)C1CCC2(CC2)N1C(=O)O
InChIInChI=1S/C8H10ClNO3/c9-6(11)5-1-2-8(3-4-8)10(5)7(12)13/h5H,1-4H2,(H,12,13)
InChIKeyVZMIBHHOICCIQW-UHFFFAOYSA-N
XLogP1.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid?
The IUPAC name of 5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid (CID 91371121) is 5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid.
What is the SMILES notation for 5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid?
The canonical SMILES for 5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid is O=C(Cl)C1CCC2(CC2)N1C(=O)O.
What is the InChIKey of 5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid?
The InChIKey is VZMIBHHOICCIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3/c9-6(11)5-1-2-8(3-4-8)10(5)7(12)13/h5H,1-4H2,(H,12,13).
What are the key properties of 5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid?
5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid has a molecular weight of 203.62 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid is sourced from PubChem (CID 91371121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).