(4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid

C15H24F2N2O4 — CID 146563060

IUPAC(4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CC(F)(F)CC12CCN(C(=O)O)CC2
InChIInChI=1S/C15H24F2N2O4/c1-13(2,3)23-11(20)18-10-8-15(16,17)9-14(10)4-6-19(7-5-14)12(21)22/h10H,4-9H2,1-3H3,(H,18,20)(H,21,22)/t10-/m1/s1
InChIKeyWAEKPAUVIFRAGS-SNVBAGLBSA-N
MW334.36 g/mol
LogP3.07
Rot. Bonds1

About (4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid

(4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 146563060) has the molecular formula C15H24F2N2O4 and a molecular weight of 334.36 g/mol. Its IUPAC name is (4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name(4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID146563060
Molecular FormulaC15H24F2N2O4
Molecular Weight334.36 g/mol
Exact Mass334.17
IUPAC Name(4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CC(F)(F)CC12CCN(C(=O)O)CC2
InChIInChI=1S/C15H24F2N2O4/c1-13(2,3)23-11(20)18-10-8-15(16,17)9-14(10)4-6-19(7-5-14)12(21)22/h10H,4-9H2,1-3H3,(H,18,20)(H,21,22)/t10-/m1/s1
InChIKeyWAEKPAUVIFRAGS-SNVBAGLBSA-N
XLogP3.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1,4-dicarboxylic acid
CID 66873251
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate
CID 154636574
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate
CID 140937019

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of (4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid (CID 146563060) is (4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for (4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for (4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid is CC(C)(C)OC(=O)N[C@@H]1CC(F)(F)CC12CCN(C(=O)O)CC2.
What is the InChIKey of (4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is WAEKPAUVIFRAGS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H24F2N2O4/c1-13(2,3)23-11(20)18-10-8-15(16,17)9-14(10)4-6-19(7-5-14)12(21)22/h10H,4-9H2,1-3H3,(H,18,20)(H,21,22)/t10-/m1/s1.
What are the key properties of (4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid?
(4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 334.36 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 146563060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).