tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate

C13H26N2O3 — CID 97173182

IUPACtert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](N)CCO
InChIInChI=1S/C13H26N2O3/c1-13(2,3)18-12(17)15-8-5-4-6-11(15)10(14)7-9-16/h10-11,16H,4-9,14H2,1-3H3/t10-,11+/m0/s1
InChIKeyVKIKQYZTJOALDI-WDEREUQCSA-N
MW258.36 g/mol
LogP1.49
Rot. Bonds3

About tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate (PubChem CID 97173182) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate
PubChem CID97173182
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](N)CCO
InChIInChI=1S/C13H26N2O3/c1-13(2,3)18-12(17)15-8-5-4-6-11(15)10(14)7-9-16/h10-11,16H,4-9,14H2,1-3H3/t10-,11+/m0/s1
InChIKeyVKIKQYZTJOALDI-WDEREUQCSA-N
XLogP1.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate (CID 97173182) is tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](N)CCO.
What is the InChIKey of tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate?
The InChIKey is VKIKQYZTJOALDI-WDEREUQCSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,3)18-12(17)15-8-5-4-6-11(15)10(14)7-9-16/h10-11,16H,4-9,14H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate is sourced from PubChem (CID 97173182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).