(1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate

C13H23NO4 — CID 174155171

IUPAC(1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)C(O)OC(=O)N1CC2(CCOCC2)C1
InChIInChI=1S/C13H23NO4/c1-12(2,3)10(15)18-11(16)14-8-13(9-14)4-6-17-7-5-13/h10,15H,4-9H2,1-3H3
InChIKeySUTDNYSLWPEBSL-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.60
Rot. Bonds1

About (1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate

(1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 174155171) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Name(1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
PubChem CID174155171
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name(1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)C(O)OC(=O)N1CC2(CCOCC2)C1
InChIInChI=1S/C13H23NO4/c1-12(2,3)10(15)18-11(16)14-8-13(9-14)4-6-17-7-5-13/h10,15H,4-9H2,1-3H3
InChIKeySUTDNYSLWPEBSL-UHFFFAOYSA-N
XLogP1.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 174155165
2-ethylimino-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one
CID 123550790
tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 169161321
N-tert-butyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 170256764
2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane
CID 178152436
2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid
CID 79695131
N-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 166810198
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane
CID 130670173
1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine
CID 146181648
3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one
CID 120502174
tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate
CID 175691146

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of (1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate (CID 174155171) is (1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for (1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for (1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate is CC(C)(C)C(O)OC(=O)N1CC2(CCOCC2)C1.
What is the InChIKey of (1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is SUTDNYSLWPEBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-12(2,3)10(15)18-11(16)14-8-13(9-14)4-6-17-7-5-13/h10,15H,4-9H2,1-3H3.
What are the key properties of (1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
(1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 174155171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).