8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid

C14H24N2O4 — CID 126844747

IUPAC8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNCC2C(=O)O
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)16-6-4-14(5-7-16)9-15-8-10(14)11(17)18/h10,15H,4-9H2,1-3H3,(H,17,18)
InChIKeyXPGMCVMRSSCCPJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.31
Rot. Bonds1

About 8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 126844747) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID126844747
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNCC2C(=O)O
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)16-6-4-14(5-7-16)9-15-8-10(14)11(17)18/h10,15H,4-9H2,1-3H3,(H,17,18)
InChIKeyXPGMCVMRSSCCPJ-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5R)-3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 97291630
2-{1-[(Tert-butoxy)carbonyl]pyrrolidin-3-yl}-2-methylpropanoic acid
CID 84078809
rac-(1R,5S)-3-((tert-butoxy)carbonyl)-3-azabicyclo(3.1.0)hexane-1-carboxylic acid
CID 98292481
1-[(Tert-butoxy)carbonyl]-4,4-dimethylpiperidine-3-carboxylic acid
CID 132372763
9-[(Tert-butoxy)carbonyl]-4-oxo-3,9-diazaspiro[5.5]undecane-1-carboxylic acid
CID 71305479
8-Tert-butyl 4-methyl 2,8-diazaspiro(4.5)decane-4,8-dicarboxylate
CID 132351014
Tert-butyl 4-[3-(methoxycarbonyl)pyrrolidin-3-yl]piperidine-1-carboxylate
CID 137935720
rac-(1R,5R)-3-[(tert-butoxy)carbonyl]-5-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 138987815
2-((Tert-butoxy)carbonyl)-7-methyl-2,7-diazaspiro(4.4)nonane-4-carboxylic acid
CID 146075362
5-tert-butyl 3a-methyl octahydro-1H-pyrrolo(3,4-c)pyridine-3a,5-dicarboxylate
CID 165947434
5-((tert-butoxy)carbonyl)-octahydro-1H-pyrrolo(3,4-c)pyridine-3a-carboxylic acid
CID 165999440
3-Boc-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 71246142

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 126844747) is 8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC2(CC1)CNCC2C(=O)O.
What is the InChIKey of 8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is XPGMCVMRSSCCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)16-6-4-14(5-7-16)9-15-8-10(14)11(17)18/h10,15H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 126844747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).