tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate

C11H20N2O4 — CID 164799052

IUPACtert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)C[C@H](C(N)=O)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-5-7(9(12)15)4-8(14)6-13/h7-8,14H,4-6H2,1-3H3,(H2,12,15)/t7-,8+/m0/s1
InChIKeyGFAKAAXDMZOBFF-JGVFFNPUSA-N
MW244.29 g/mol
LogP0.09
Rot. Bonds1

About tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate

tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate (PubChem CID 164799052) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate
PubChem CID164799052
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)C[C@H](C(N)=O)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-5-7(9(12)15)4-8(14)6-13/h7-8,14H,4-6H2,1-3H3,(H2,12,15)/t7-,8+/m0/s1
InChIKeyGFAKAAXDMZOBFF-JGVFFNPUSA-N
XLogP0.09
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,5S)-3-amino-5-hydroxypiperidine-1-carboxylate
CID 124510092
tert-butyl 3-amino-5-hydroxypiperidine-1-carboxylate
CID 83680140
tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate
CID 154575288
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 (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
acetamide;tert-butyl (1R,5S)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 143874394
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate (CID 164799052) is tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O)C[C@H](C(N)=O)C1.
What is the InChIKey of tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate?
The InChIKey is GFAKAAXDMZOBFF-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-5-7(9(12)15)4-8(14)6-13/h7-8,14H,4-6H2,1-3H3,(H2,12,15)/t7-,8+/m0/s1.
What are the key properties of tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate?
tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 164799052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).