8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid

C13H21NO5 — CID 146155602

IUPAC8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2(CCC2)OCC1C(=O)O
InChIInChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-8-13(5-4-6-13)18-7-9(14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyNDNHMBSWRIVIEY-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.63
Rot. Bonds1

About 8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid

8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 146155602) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid
PubChem CID146155602
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2(CCC2)OCC1C(=O)O
InChIInChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-8-13(5-4-6-13)18-7-9(14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyNDNHMBSWRIVIEY-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

6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-3-carboxylic acid
CID 155943304
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid
CID 118990694
(5R,8S)-10,10-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azadispiro[3.0.45.14]decane-8-carboxylic acid
CID 58363278
tert-butyl (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carboxylate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 158632210
(5S,8S)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 91810342
(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-3-carboxylic acid
CID 126623302
(3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid
CID 163321517
(3S,6R)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
CID 139014748
(3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid
CID 97111514
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
CID 53482071
(2S,3S)-3-deuterio-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 176786597
(2R,4S)-4-hydroxy-4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 166799437

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid (CID 146155602) is 8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid is CC(C)(C)OC(=O)N1CC2(CCC2)OCC1C(=O)O.
What is the InChIKey of 8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is NDNHMBSWRIVIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-8-13(5-4-6-13)18-7-9(14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid?
8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-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 8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 146155602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).