tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate

C14H25NO4 — CID 42605341

IUPACtert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CO)COC12CCCCC2
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-11(9-16)10-18-14(15)7-5-4-6-8-14/h11,16H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyUYRQWIPUOKYGNW-NSHDSACASA-N
MW271.36 g/mol
LogP2.28
Rot. Bonds1

About tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate

tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate (PubChem CID 42605341) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
PubChem CID42605341
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CO)COC12CCCCC2
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-11(9-16)10-18-14(15)7-5-4-6-8-14/h11,16H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyUYRQWIPUOKYGNW-NSHDSACASA-N
XLogP2.28
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3S)-3-(hydroxymethyl)-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

Related Compounds

(S)-4-((S)-2-hydroxy-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid t-butyl ester
CID 59173108
tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10944693
tert-butyl (2R)-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 7062400
tert-butyl (2S)-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 7062399
tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11832131
tert-Butyl 2-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 13425759
rac-tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 39871810
1,1-Dimethylethyl 4-(hydroxymethyl)-2,2,5-trimethyl-3-oxazolidinecarboxylate
CID 43810964
rac-tert-butyl (2R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-1-carboxylate, trans
CID 86334253
tert-butyl (2S,4R)-2-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 99889425
Tert-butyl (4S)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10879805
(4S,5R)-tert-Butyl 4-(hydroxymethyl)-2,2,5-trimethyloxazolidine-3-carboxylate
CID 39871812

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate (CID 42605341) is tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate is CC(C)(C)OC(=O)N1[C@@H](CO)COC12CCCCC2.
What is the InChIKey of tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The InChIKey is UYRQWIPUOKYGNW-NSHDSACASA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-11(9-16)10-18-14(15)7-5-4-6-8-14/h11,16H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 42605341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).