1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid

C13H21NO5 — CID 175669317

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC12COC(C(=O)O)C2
InChIInChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-6-4-5-13(14)7-9(10(15)16)18-8-13/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyRNALOQWKLGVSAD-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.63
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 175669317) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid
PubChem CID175669317
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC12COC(C(=O)O)C2
InChIInChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-6-4-5-13(14)7-9(10(15)16)18-8-13/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyRNALOQWKLGVSAD-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
CID 56962184
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
tert-butyl 2-cyano-5-azaspiro[3.4]octane-5-carboxylate
CID 56962171
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.4]nonane-3-carboxylic acid
CID 139022581
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
(2R)-2-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 134421765
tert-butyl 1-oxa-8-azaspiro[3.4]octane-8-carboxylate
CID 71669234
tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
CID 56962197
8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid
CID 162342316
6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid
CID 21307005

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid (CID 175669317) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid is CC(C)(C)OC(=O)N1CCCC12COC(C(=O)O)C2.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is RNALOQWKLGVSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-6-4-5-13(14)7-9(10(15)16)18-8-13/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 175669317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).