6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C19H22N2O4 — CID 119136539

IUPAC6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)N2CCC3(CC2)CC3C(=O)O)c1)C1CC1
InChIInChI=1S/C19H22N2O4/c22-16(12-4-5-12)20-14-3-1-2-13(10-14)17(23)21-8-6-19(7-9-21)11-15(19)18(24)25/h1-3,10,12,15H,4-9,11H2,(H,20,22)(H,24,25)
InChIKeyLGZJGXGHGHQWQG-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.36
Rot. Bonds4

About 6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119136539) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119136539
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)N2CCC3(CC2)CC3C(=O)O)c1)C1CC1
InChIInChI=1S/C19H22N2O4/c22-16(12-4-5-12)20-14-3-1-2-13(10-14)17(23)21-8-6-19(7-9-21)11-15(19)18(24)25/h1-3,10,12,15H,4-9,11H2,(H,20,22)(H,24,25)
InChIKeyLGZJGXGHGHQWQG-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-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136538
6-[3-(methylcarbamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514575
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
6-(3-nitrobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174572
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 120804177
N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55649623
N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31349274
6-(3-ethoxybenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175460
N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240
6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175388

Frequently Asked Questions

What is the IUPAC name of 6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119136539) is 6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(Nc1cccc(C(=O)N2CCC3(CC2)CC3C(=O)O)c1)C1CC1.
What is the InChIKey of 6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is LGZJGXGHGHQWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-16(12-4-5-12)20-14-3-1-2-13(10-14)17(23)21-8-6-19(7-9-21)11-15(19)18(24)25/h1-3,10,12,15H,4-9,11H2,(H,20,22)(H,24,25).
What are the key properties of 6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[3-(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-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119136539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).