2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid

C12H20N2O4 — CID 121207766

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2(CNCC2C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-11(2,3)18-10(17)14-6-12(7-14)5-13-4-8(12)9(15)16/h8,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyCJLPPRCRWGZAHJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.53
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid

2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid (PubChem CID 121207766) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
PubChem CID121207766
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2(CNCC2C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-11(2,3)18-10(17)14-6-12(7-14)5-13-4-8(12)9(15)16/h8,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyCJLPPRCRWGZAHJ-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid (CID 121207766) is 2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid is CC(C)(C)OC(=O)N1CC2(CNCC2C(=O)O)C1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The InChIKey is CJLPPRCRWGZAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-11(2,3)18-10(17)14-6-12(7-14)5-13-4-8(12)9(15)16/h8,13H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid is sourced from PubChem (CID 121207766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).