tert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

C13H23NO5 — CID 177330273

IUPACtert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCOC(=O)C[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-9(5-10(15)8-14)6-11(16)18-4/h9-10,15H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyTXUIVPJKKYDGOM-UWVGGRQHSA-N
MW273.33 g/mol
LogP1.17
Rot. Bonds2

About tert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

tert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate (PubChem CID 177330273) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
PubChem CID177330273
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nametert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCOC(=O)C[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-9(5-10(15)8-14)6-11(16)18-4/h9-10,15H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyTXUIVPJKKYDGOM-UWVGGRQHSA-N
XLogP1.17
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663
tert-butyl 3-amino-5-hydroxypiperidine-1-carboxylate
CID 83680140
tert-butyl (3S,5S)-3-amino-5-hydroxypiperidine-1-carboxylate
CID 124510092
tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate
CID 154575288
tert-butyl (2R,4S)-4-amino-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 124662507
tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate
CID 164799052
tert-butyl 5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 22594656
tert-butyl (3aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 69032277
tert-butyl 3-[(dibenzylamino)methyl]-5-hydroxypiperidine-1-carboxylate
CID 167717614
tert-butyl 3-(butylaminomethyl)azetidine-1-carboxylate
CID 71304630
tert-butyl 6-(3-methoxy-3-oxopropanoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 135396371
tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate
CID 171081613

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate (CID 177330273) is tert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate is COC(=O)C[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is TXUIVPJKKYDGOM-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-9(5-10(15)8-14)6-11(16)18-4/h9-10,15H,5-8H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of tert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
tert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5S)-3-hydroxy-5-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 177330273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).