8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H23FN2O4 — CID 70756805

IUPAC8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)c1ccccc1F
InChIInChI=1S/C20H23FN2O4/c21-15-4-2-1-3-14(15)18(25)23-12-20(11-16(23)19(26)27)7-9-22(10-8-20)17(24)13-5-6-13/h1-4,13,16H,5-12H2,(H,26,27)
InChIKeyBDBANHWENOXGIM-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.14
Rot. Bonds3

About 8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70756805) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID70756805
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)c1ccccc1F
InChIInChI=1S/C20H23FN2O4/c21-15-4-2-1-3-14(15)18(25)23-12-20(11-16(23)19(26)27)7-9-22(10-8-20)17(24)13-5-6-13/h1-4,13,16H,5-12H2,(H,26,27)
InChIKeyBDBANHWENOXGIM-UHFFFAOYSA-N
XLogP2.14
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(cyclopropanecarbonyl)-2-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 170502619
(3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95869342
(3S)-8-(cyclopropanecarbonyl)-2-(furan-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95861935
(3S)-8-(cyclopropanecarbonyl)-2-(3-phenylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95870833
8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70723113
8-(cyclopropanecarbonyl)-2-(3-methoxybenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70729245
(3S)-8-(cyclopropanecarbonyl)-2-(2-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95869962
(3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95871679
2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70716826
8-(cyclopropanecarbonyl)-2-(2-ethylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70775041
8-(cyclopropanecarbonyl)-2-(3-pyrrol-1-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70720900
8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56881325

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70756805) is 8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)c1ccccc1F.
What is the InChIKey of 8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is BDBANHWENOXGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c21-15-4-2-1-3-14(15)18(25)23-12-20(11-16(23)19(26)27)7-9-22(10-8-20)17(24)13-5-6-13/h1-4,13,16H,5-12H2,(H,26,27).
What are the key properties of 8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 374.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70756805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).