(3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid

C14H23NO5 — CID 97111514

IUPAC(3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H](C(=O)O)CO2)C1
InChIInChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-6-4-5-14(9-15)7-10(8-19-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)/t10-,14+/m1/s1
InChIKeyPDXXKWSPNUKXNX-YGRLFVJLSA-N
MW285.34 g/mol
LogP1.88
Rot. Bonds1

About (3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid

(3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 97111514) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID97111514
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H](C(=O)O)CO2)C1
InChIInChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-6-4-5-14(9-15)7-10(8-19-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)/t10-,14+/m1/s1
InChIKeyPDXXKWSPNUKXNX-YGRLFVJLSA-N
XLogP1.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid
CID 162342316
tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
CID 155896173
sodium 2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azaspiro[3.4]octane-7-carboxylate
CID 122440040
tert-butyl 3-(N'-hydroxycarbamimidoyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 86657867
tert-butyl (2R,5R)-2-formyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
CID 71763342
8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid
CID 146155602
tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate
CID 167468572
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate
CID 91927722
tert-butyl (3S)-3-bromo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 41417340
tert-butyl 3,3-difluoroazepane-1-carboxylate
CID 67979523
tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate
CID 178200490
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid (CID 97111514) is (3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H](C(=O)O)CO2)C1.
What is the InChIKey of (3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is PDXXKWSPNUKXNX-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-6-4-5-14(9-15)7-10(8-19-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)/t10-,14+/m1/s1.
What are the key properties of (3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid?
(3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 97111514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).