2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid

C13H21NO5 — CID 122155824

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2(CCOCC2)C1C(=O)O
InChIInChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-8-13(9(14)10(15)16)4-6-18-7-5-13/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyRZOBBGRZUFFURI-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.49
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid

2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid (PubChem CID 122155824) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid
PubChem CID122155824
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2(CCOCC2)C1C(=O)O
InChIInChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-8-13(9(14)10(15)16)4-6-18-7-5-13/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyRZOBBGRZUFFURI-UHFFFAOYSA-N
XLogP1.49
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid (CID 122155824) is 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid is CC(C)(C)OC(=O)N1CC2(CCOCC2)C1C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid?
The InChIKey is RZOBBGRZUFFURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-8-13(9(14)10(15)16)4-6-18-7-5-13/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid is sourced from PubChem (CID 122155824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).