6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C15H16ClNO3 — CID 119175381

IUPAC6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C15H16ClNO3/c16-11-3-1-10(2-4-11)13(18)17-7-5-15(6-8-17)9-12(15)14(19)20/h1-4,12H,5-9H2,(H,19,20)
InChIKeyCGQZMURMKROEJT-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.67
Rot. Bonds2

About 6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175381) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175381
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C15H16ClNO3/c16-11-3-1-10(2-4-11)13(18)17-7-5-15(6-8-17)9-12(15)14(19)20/h1-4,12H,5-9H2,(H,19,20)
InChIKeyCGQZMURMKROEJT-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175388
6-(4-chloro-2-fluorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 131963262
6-[4-(1,3-dithiolan-2-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174763
6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136538
6-(4-propan-2-ylsulfonylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136510
6-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137353
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342
6-[4-(phenylsulfanylmethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174894
6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174547
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379
6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136534
(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469595

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175381) is 6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of 6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is CGQZMURMKROEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-11-3-1-10(2-4-11)13(18)17-7-5-15(6-8-17)9-12(15)14(19)20/h1-4,12H,5-9H2,(H,19,20).
What are the key properties of 6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 293.75 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).