8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid

C15H25NO5 — CID 162342316

IUPAC8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC2(CCCC(C(=O)O)O2)C1
InChIInChI=1S/C15H25NO5/c1-14(2,3)21-13(19)16-9-5-8-15(10-16)7-4-6-11(20-15)12(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeySEVRTNAMJBHQMH-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.41
Rot. Bonds1

About 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid

8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid (PubChem CID 162342316) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid.

Molecular Properties

Compound Name8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid
PubChem CID162342316
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC2(CCCC(C(=O)O)O2)C1
InChIInChI=1S/C15H25NO5/c1-14(2,3)21-13(19)16-9-5-8-15(10-16)7-4-6-11(20-15)12(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeySEVRTNAMJBHQMH-UHFFFAOYSA-N
XLogP2.41
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid with MolForge

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Related Compounds

tert-butyl (2R,5R)-2-formyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
CID 71763342
(3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid
CID 97111514
tert-butyl 7-(iodomethyl)-6-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 121229816
tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
CID 53485911
(8S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-1,9-dioxa-6-azaspiro[3.6]decane-8-carboxylic acid
CID 171841249
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate
CID 167468572
9-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylic acid
CID 146050262
tert-butyl 2-(aminomethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 121229920
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate
CID 97171663

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid?
The IUPAC name of 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid (CID 162342316) is 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid.
What is the SMILES notation for 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid?
The canonical SMILES for 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid is CC(C)(C)OC(=O)N1CCCC2(CCCC(C(=O)O)O2)C1.
What is the InChIKey of 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid?
The InChIKey is SEVRTNAMJBHQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-14(2,3)21-13(19)16-9-5-8-15(10-16)7-4-6-11(20-15)12(17)18/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid?
8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid is sourced from PubChem (CID 162342316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).