2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid

C19H31N3O3 — CID 90973714

IUPAC2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CC(C(=O)N1CCCN(C3CCC3)CC1)C2
InChIInChI=1S/C19H31N3O3/c23-17(21-8-2-7-20(11-12-21)16-3-1-4-16)15-13-19(14-15)5-9-22(10-6-19)18(24)25/h15-16H,1-14H2,(H,24,25)
InChIKeyDFRPUCOQWMCDQY-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.24
Rot. Bonds2

About 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid

2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 90973714) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
PubChem CID90973714
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CC(C(=O)N1CCCN(C3CCC3)CC1)C2
InChIInChI=1S/C19H31N3O3/c23-17(21-8-2-7-20(11-12-21)16-3-1-4-16)15-13-19(14-15)5-9-22(10-6-19)18(24)25/h15-16H,1-14H2,(H,24,25)
InChIKeyDFRPUCOQWMCDQY-UHFFFAOYSA-N
XLogP2.24
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid with MolForge

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Related Compounds

9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66701001
(4-cyclobutyl-1,4-diazepan-1-yl)-[7-(4-fluorophenyl)sulfonyl-7-azaspiro[3.5]nonan-2-yl]methanone
CID 46212881
1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone
CID 59333116
2-(4-piperidin-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144917
[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 58243437
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
(4-cyclobutylpiperazin-1-yl)-[7-(3-pyridin-4-ylpropyl)-7-azaspiro[3.5]nonan-2-yl]methanone
CID 91146127
[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 143899480
3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782292
[1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
CID 70221560
(4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119871577

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid (CID 90973714) is 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid is O=C(O)N1CCC2(CC1)CC(C(=O)N1CCCN(C3CCC3)CC1)C2.
What is the InChIKey of 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is DFRPUCOQWMCDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c23-17(21-8-2-7-20(11-12-21)16-3-1-4-16)15-13-19(14-15)5-9-22(10-6-19)18(24)25/h15-16H,1-14H2,(H,24,25).
What are the key properties of 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid?
2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 349.48 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 90973714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).