tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate

C17H31NO4 — CID 10870719

IUPACtert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
SMILESCC(C)[C@@H](O)[C@H]1COC2(CCCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H31NO4/c1-12(2)14(19)13-11-21-17(9-7-6-8-10-17)18(13)15(20)22-16(3,4)5/h12-14,19H,6-11H2,1-5H3/t13-,14-/m1/s1
InChIKeyVRKWKBJABQNDLZ-ZIAGYGMSSA-N
MW313.44 g/mol
LogP3.30
Rot. Bonds2

About tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate

tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate (PubChem CID 10870719) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
PubChem CID10870719
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC Nametert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
SMILESCC(C)[C@@H](O)[C@H]1COC2(CCCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H31NO4/c1-12(2)14(19)13-11-21-17(9-7-6-8-10-17)18(13)15(20)22-16(3,4)5/h12-14,19H,6-11H2,1-5H3/t13-,14-/m1/s1
InChIKeyVRKWKBJABQNDLZ-ZIAGYGMSSA-N
XLogP3.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate (CID 10870719) is tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate is CC(C)[C@@H](O)[C@H]1COC2(CCCCC2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The InChIKey is VRKWKBJABQNDLZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H31NO4/c1-12(2)14(19)13-11-21-17(9-7-6-8-10-17)18(13)15(20)22-16(3,4)5/h12-14,19H,6-11H2,1-5H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate has a molecular weight of 313.44 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 10870719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).