5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid

C13H21NO5 — CID 56962180

IUPAC5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCOCC12CC(C(=O)O)C2
InChIInChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-4-5-18-8-13(14)6-9(7-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyRFSTURQDTDVQDU-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.49
Rot. Bonds1

About 5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid

5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 56962180) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid
PubChem CID56962180
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCOCC12CC(C(=O)O)C2
InChIInChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-4-5-18-8-13(14)6-9(7-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyRFSTURQDTDVQDU-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

Analyze 5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid with MolForge

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Related Compounds

2-{5-[(Tert-butoxy)carbonyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl}acetic acid
CID 137935277
6-[(Tert-butoxy)carbonyl]-3-oxa-6-azabicyclo[3.1.1]heptane-1-carboxylic acid
CID 165588800
tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate
CID 122484559
3-{4-[(Tert-butoxy)carbonyl]morpholin-3-yl}-2,2-difluoropropanoic acid
CID 165638548
3-{4-[(Tert-butoxy)carbonyl]morpholin-3-yl}-4,4-difluorobutanoic acid
CID 165660133
3-{4-[(Tert-butoxy)carbonyl]morpholin-3-yl}-3,3-difluoropropanoic acid
CID 165679007
3-{4-[(Tert-butoxy)carbonyl]morpholin-3-yl}-4,4,4-trifluorobutanoic acid
CID 165686436
4-Boc-3-(2-carboxy-ethyl)-morpholine
CID 53425042
4-Methyl-5-(morpholine-4-carbonyloxy)pentanoic acid
CID 57206046
(R)-3-(4-(Tert-butoxycarbonyl)morpholin-3-YL)propanoic acid
CID 92177306
(S)-3-(4-(Tert-butoxycarbonyl)morpholin-3-YL)propanoic acid
CID 97107215
Tert-butyl 3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate
CID 122484557

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid (CID 56962180) is 5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid is CC(C)(C)OC(=O)N1CCOCC12CC(C(=O)O)C2.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is RFSTURQDTDVQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-4-5-18-8-13(14)6-9(7-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid?
5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-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 5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-5-azaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 56962180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).