5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid

C13H21NO4 — CID 56962184

IUPAC5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC12CC(C(=O)O)C2
InChIInChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-4-5-13(14)7-9(8-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyJPRDSXJTSHIDCU-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.25
Rot. Bonds1

About 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid

5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid (PubChem CID 56962184) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
PubChem CID56962184
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC12CC(C(=O)O)C2
InChIInChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-4-5-13(14)7-9(8-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyJPRDSXJTSHIDCU-UHFFFAOYSA-N
XLogP2.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.4]nonane-3-carboxylic acid
CID 139022581
tert-butyl 2-cyano-5-azaspiro[3.4]octane-5-carboxylate
CID 56962171
1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid
CID 175669317
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
CID 56962197
6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid
CID 21307005
bis(tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate);oxalic acid
CID 91800935
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate
CID 170992407
tert-butyl 8-oxo-1-azaspiro[4.4]nonane-1-carboxylate
CID 135395018
2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22556536
tert-butyl (2R)-2-(hydroxymethyl)-2-methylazepane-1-carboxylate
CID 129462520

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid (CID 56962184) is 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid is CC(C)(C)OC(=O)N1CCCC12CC(C(=O)O)C2.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid?
The InChIKey is JPRDSXJTSHIDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-4-5-13(14)7-9(8-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid?
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid is sourced from PubChem (CID 56962184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).