6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid

C15H23NO6 — CID 21307005

IUPAC6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid
SMILESCOC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)CC1C(=O)O
InChIInChI=1S/C15H23NO6/c1-14(2,3)22-13(20)16-6-5-15(16)7-9(11(17)18)10(8-15)12(19)21-4/h9-10H,5-8H2,1-4H3,(H,17,18)
InChIKeyJGDYCOJSXGTSGJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.65
Rot. Bonds2

About 6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid

6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid (PubChem CID 21307005) has the molecular formula C15H23NO6 and a molecular weight of 313.35 g/mol. Its IUPAC name is 6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid.

Molecular Properties

Compound Name6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid
PubChem CID21307005
Molecular FormulaC15H23NO6
Molecular Weight313.35 g/mol
Exact Mass313.15
IUPAC Name6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid
SMILESCOC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)CC1C(=O)O
InChIInChI=1S/C15H23NO6/c1-14(2,3)22-13(20)16-6-5-15(16)7-9(11(17)18)10(8-15)12(19)21-4/h9-10H,5-8H2,1-4H3,(H,17,18)
InChIKeyJGDYCOJSXGTSGJ-UHFFFAOYSA-N
XLogP1.65
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid with MolForge

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Related Compounds

1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate
CID 21307053
tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
CID 56962197
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
CID 56962184
tert-butyl 6-methylsulfonyloxy-1-azaspiro[3.3]heptane-1-carboxylate
CID 90156265
tert-butyl 6-amino-1-azaspiro[3.4]octane-1-carboxylate
CID 138112241
tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707
tert-butyl 7-bromo-1-azaspiro[3.5]nonane-1-carboxylate
CID 155894832
tert-butyl 6-(aminomethyl)-1-azaspiro[3.5]nonane-1-carboxylate
CID 155892408
1-O-tert-butyl 3-O-methyl 2-methylpiperidine-1,3-dicarboxylate
CID 90404337
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate
CID 170992407
tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
CID 118705199
tert-butyl 2-cyano-5-azaspiro[3.4]octane-5-carboxylate
CID 56962171

Frequently Asked Questions

What is the IUPAC name of 6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid?
The IUPAC name of 6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid (CID 21307005) is 6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid.
What is the SMILES notation for 6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid?
The canonical SMILES for 6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid is COC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)CC1C(=O)O.
What is the InChIKey of 6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid?
The InChIKey is JGDYCOJSXGTSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO6/c1-14(2,3)22-13(20)16-6-5-15(16)7-9(11(17)18)10(8-15)12(19)21-4/h9-10H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid?
6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid has a molecular weight of 313.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid is sourced from PubChem (CID 21307005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).