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

C19H22N2O4 — CID 119136538

IUPAC6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1)C1CC1
InChIInChI=1S/C19H22N2O4/c22-16(12-1-2-12)20-14-5-3-13(4-6-14)17(23)21-9-7-19(8-10-21)11-15(19)18(24)25/h3-6,12,15H,1-2,7-11H2,(H,20,22)(H,24,25)
InChIKeyBWXZQBCMLROAJQ-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.36
Rot. Bonds4

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

6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119136538) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119136538
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1)C1CC1
InChIInChI=1S/C19H22N2O4/c22-16(12-1-2-12)20-14-5-3-13(4-6-14)17(23)21-9-7-19(8-10-21)11-15(19)18(24)25/h3-6,12,15H,1-2,7-11H2,(H,20,22)(H,24,25)
InChIKeyBWXZQBCMLROAJQ-UHFFFAOYSA-N
XLogP2.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175388
6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136539
6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136534
6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175381
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-[4-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633911
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide
CID 90350182
6-[4-(1,3-dithiolan-2-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174763
6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide
CID 171915570
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927

Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119136538) is 6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(Nc1ccc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1)C1CC1.
What is the InChIKey of 6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is BWXZQBCMLROAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-16(12-1-2-12)20-14-5-3-13(4-6-14)17(23)21-9-7-19(8-10-21)11-15(19)18(24)25/h3-6,12,15H,1-2,7-11H2,(H,20,22)(H,24,25).
What are the key properties of 6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 342.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119136538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).