tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

C14H25NO6 — CID 11822823

IUPACtert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C[C@@H]1[C@H](O)CO)OCCO2
InChIInChI=1S/C14H25NO6/c1-13(2,3)21-12(18)15-5-4-14(19-6-7-20-14)8-10(15)11(17)9-16/h10-11,16-17H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyZEKONRBAPVAYBF-GHMZBOCLSA-N
MW303.36 g/mol
LogP0.48
Rot. Bonds2

About tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 11822823) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID11822823
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Nametert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C[C@@H]1[C@H](O)CO)OCCO2
InChIInChI=1S/C14H25NO6/c1-13(2,3)21-12(18)15-5-4-14(19-6-7-20-14)8-10(15)11(17)9-16/h10-11,16-17H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyZEKONRBAPVAYBF-GHMZBOCLSA-N
XLogP0.48
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

tert-butyl (3aR,4S,7S,7aR)-7-hydroxy-4-(hydroxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
CID 42598100
tert-butyl (2R)-2-[(1S)-1,2-dihydroxyethyl]piperidine-1-carboxylate
CID 52916324
tert-butyl (7R)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 139065568
tert-butyl (2R)-2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
CID 162405464
Methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 22947912
Tert-butyl 2-(1-hydroxy-5-methoxypentyl)morpholine-4-carboxylate
CID 57544887
7-(1-Hydroxy-1-methyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
CID 58442877
Tert-butyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 69585568
tert-butyl (3aR,7S,7aR)-7-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxylate
CID 124251519
tert-butyl 7-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxylate
CID 130156583
tert-butyl (7R)-7-(hydroxymethyl)-6-oxa-2-azabicyclo[3.2.1]octane-2-carboxylate
CID 163209468
tert-butyl (7S)-7-(hydroxymethyl)-6-oxa-2-azabicyclo[3.2.1]octane-2-carboxylate
CID 163209503

Frequently Asked Questions

What is the IUPAC name of tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (CID 11822823) is tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(C[C@@H]1[C@H](O)CO)OCCO2.
What is the InChIKey of tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is ZEKONRBAPVAYBF-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H25NO6/c1-13(2,3)21-12(18)15-5-4-14(19-6-7-20-14)8-10(15)11(17)9-16/h10-11,16-17H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 11822823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).