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

C20H24N2O4 — CID 119136534

IUPAC6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1
InChIInChI=1S/C20H24N2O4/c1-12-10-15(12)17(23)21-14-4-2-13(3-5-14)18(24)22-8-6-20(7-9-22)11-16(20)19(25)26/h2-5,12,15-16H,6-11H2,1H3,(H,21,23)(H,25,26)
InChIKeyYEXPKGQKYFRGNT-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.61
Rot. Bonds4

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

6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119136534) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119136534
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1
InChIInChI=1S/C20H24N2O4/c1-12-10-15(12)17(23)21-14-4-2-13(3-5-14)18(24)22-8-6-20(7-9-22)11-16(20)19(25)26/h2-5,12,15-16H,6-11H2,1H3,(H,21,23)(H,25,26)
InChIKeyYEXPKGQKYFRGNT-UHFFFAOYSA-N
XLogP2.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[4-[(2-methylcyclopropanecarbonyl)amino]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-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136538
6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175381
cis-(1S,2R)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023007
trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023008
2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 46429453
trans-(1S,2S)-2-methyl-N-[4-(4-methyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 97262540
cis-(1S,2R)-2-methyl-N-[4-(4-methyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 97262539
6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136539
cis-(1S,2R)-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38765611
2-methyl-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119579414
6-(4-propan-2-ylsulfonylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136510

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119136534) is 6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is CC1CC1C(=O)Nc1ccc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1.
What is the InChIKey of 6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is YEXPKGQKYFRGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-10-15(12)17(23)21-14-4-2-13(3-5-14)18(24)22-8-6-20(7-9-22)11-16(20)19(25)26/h2-5,12,15-16H,6-11H2,1H3,(H,21,23)(H,25,26).
What are the key properties of 6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119136534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).