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

C16H29NO4 — CID 134930682

IUPACtert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
SMILESCC[C@@H](O)[C@H]1COC2(CCCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO4/c1-5-13(18)12-11-20-16(9-7-6-8-10-16)17(12)14(19)21-15(2,3)4/h12-13,18H,5-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyDUNZJCXEBCMUPB-CHWSQXEVSA-N
MW299.41 g/mol
LogP3.05
Rot. Bonds2

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

tert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate (PubChem CID 134930682) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
PubChem CID134930682
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
SMILESCC[C@@H](O)[C@H]1COC2(CCCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO4/c1-5-13(18)12-11-20-16(9-7-6-8-10-16)17(12)14(19)21-15(2,3)4/h12-13,18H,5-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyDUNZJCXEBCMUPB-CHWSQXEVSA-N
XLogP3.05
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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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
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
(4S,5R)-tert-Butyl 4-(hydroxymethyl)-2,2,5-trimethyloxazolidine-3-carboxylate
CID 39871812
(2s,5s)-N-(t-butoxycarbonyl)-2,5-dihydroxymethyl-pyrrolidine
CID 86313478
tert-Butyl (2R,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 122383755
3-((2S,4S)-1-(tert-butoxycarbonyl)-4-fluoro-2-pyrrolidinylmethoxy)propanol
CID 67406438
tert-Butyl (2S,3S)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 121277282
tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11276298

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate (CID 134930682) is tert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate is CC[C@@H](O)[C@H]1COC2(CCCCC2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The InChIKey is DUNZJCXEBCMUPB-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H29NO4/c1-5-13(18)12-11-20-16(9-7-6-8-10-16)17(12)14(19)21-15(2,3)4/h12-13,18H,5-11H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
tert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 3.05, 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-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 134930682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).