tert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate

C11H19NO3 — CID 154577211

IUPACtert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)C12CCC2
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-7-8(13)11(12)5-4-6-11/h8,13H,4-7H2,1-3H3
InChIKeyPEKGUFQKDSLFTG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.52
Rot. Bonds

About tert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate

tert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate (PubChem CID 154577211) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate
PubChem CID154577211
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)C12CCC2
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-7-8(13)11(12)5-4-6-11/h8,13H,4-7H2,1-3H3
InChIKeyPEKGUFQKDSLFTG-UHFFFAOYSA-N
XLogP1.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 2-(hydroxymethyl)-2-methylazetidine-1-carboxylate
CID 71758129
Tert-butyl 6-hydroxy-1-azaspiro(3.3)heptane-1-carboxylate
CID 72207992
1-Azaspiro[3.3]heptane-1-carboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester
CID 118997501
Tert-butyl 8-hydroxy-5-azaspiro[3.4]octane-5-carboxylate
CID 122163682
Tert-butyl 3-hydroxy-2,2-dimethylazetidine-1-carboxylate
CID 131307254
Tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate
CID 155937669
Tert-butyl 1-(hydroxymethyl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 163321543
Tert-butyl 6-(hydroxymethyl)-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate
CID 165881967
tert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate
CID 69259114
Tert-butyl 4-(hydroxymethyl)-2,2-dimethylazetidine-1-carboxylate
CID 126970421
tert-butyl (3S)-3-hydroxy-2,2-dimethyl-azetidine-1-carboxylate
CID 134830470
tert-butyl (3R)-3-hydroxy-2,2-dimethyl-azetidine-1-carboxylate
CID 135392193

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate (CID 154577211) is tert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate is CC(C)(C)OC(=O)N1CC(O)C12CCC2.
What is the InChIKey of tert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate?
The InChIKey is PEKGUFQKDSLFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-7-8(13)11(12)5-4-6-11/h8,13H,4-7H2,1-3H3.
What are the key properties of tert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate?
tert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate is sourced from PubChem (CID 154577211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).