tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate

C10H19NO3 — CID 96845258

IUPACtert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@@H](O)CCN1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)8-6-7(12)4-5-11-8/h7-8,11-12H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyIIAIUFFONBIUMS-YUMQZZPRSA-N
MW201.27 g/mol
LogP0.44
Rot. Bonds1

About tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate

tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate (PubChem CID 96845258) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate
PubChem CID96845258
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@@H](O)CCN1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)8-6-7(12)4-5-11-8/h7-8,11-12H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyIIAIUFFONBIUMS-YUMQZZPRSA-N
XLogP0.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S,4S)-4-hydroxypiperidine-2-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

tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
CID 15283651
(2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate
CID 23164484
5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 67042420
tert-butyl (2S)-4-methoxypyrrolidine-2-carboxylate
CID 54187646
2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate
CID 73094768
tert-butyl (2S,4S,6S)-4-hydroxy-6-propylpiperidine-2-carboxylate;hydrochloride
CID 72714047
tert-butyl 4-cyanopyrrolidine-2-carboxylate
CID 131739554
(2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368053

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate (CID 96845258) is tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate is CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)CCN1.
What is the InChIKey of tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate?
The InChIKey is IIAIUFFONBIUMS-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)8-6-7(12)4-5-11-8/h7-8,11-12H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate?
tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate is sourced from PubChem (CID 96845258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).