2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid

C20H26F2N2O3 — CID 66661098

IUPAC2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid
SMILESCC(c1ccccc1)C(F)(F)CC(NC(=O)N1CCC2(CC1)CC2)C(=O)O
InChIInChI=1S/C20H26F2N2O3/c1-14(15-5-3-2-4-6-15)20(21,22)13-16(17(25)26)23-18(27)24-11-9-19(7-8-19)10-12-24/h2-6,14,16H,7-13H2,1H3,(H,23,27)(H,25,26)
InChIKeyHURVPDOYUSVYBT-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.85
Rot. Bonds6

About 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid

2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid (PubChem CID 66661098) has the molecular formula C20H26F2N2O3 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid
PubChem CID66661098
Molecular FormulaC20H26F2N2O3
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Name2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid
SMILESCC(c1ccccc1)C(F)(F)CC(NC(=O)N1CCC2(CC1)CC2)C(=O)O
InChIInChI=1S/C20H26F2N2O3/c1-14(15-5-3-2-4-6-15)20(21,22)13-16(17(25)26)23-18(27)24-11-9-19(7-8-19)10-12-24/h2-6,14,16H,7-13H2,1H3,(H,23,27)(H,25,26)
InChIKeyHURVPDOYUSVYBT-UHFFFAOYSA-N
XLogP3.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid with MolForge

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Related Compounds

N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 70309854
N-[1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-azaspiro[3.5]nonane-7-carboxamide
CID 76654316
2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid
CID 63162376
(2R)-2-(8-azaspiro[4.5]decane-8-carbonylamino)-4-methylsulfanylbutanoic acid
CID 104910293
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
(2S)-2-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]-4,4-difluoro-5-phenylpentanoic acid
CID 151805238
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 24992876
(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
CID 942242
N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-3-phenyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 70308891
2-cyclopropyl-3-oxo-N-[(1R)-1-phenylpropyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70710449

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid?
The IUPAC name of 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid (CID 66661098) is 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid.
What is the SMILES notation for 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid?
The canonical SMILES for 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid is CC(c1ccccc1)C(F)(F)CC(NC(=O)N1CCC2(CC1)CC2)C(=O)O.
What is the InChIKey of 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid?
The InChIKey is HURVPDOYUSVYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O3/c1-14(15-5-3-2-4-6-15)20(21,22)13-16(17(25)26)23-18(27)24-11-9-19(7-8-19)10-12-24/h2-6,14,16H,7-13H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid?
2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid has a molecular weight of 380.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-5-phenylhexanoic acid is sourced from PubChem (CID 66661098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).