tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate

C13H26N2O4 — CID 139469846

IUPACtert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1C(O)(CN)CO
InChIInChI=1S/C13H26N2O4/c1-12(2,3)19-11(17)15-7-5-4-6-10(15)13(18,8-14)9-16/h10,16,18H,4-9,14H2,1-3H3/t10-,13?/m0/s1
InChIKeyANYIFENEMMYBGV-NKUHCKNESA-N
MW274.36 g/mol
LogP0.46
Rot. Bonds3

About tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate

tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate (PubChem CID 139469846) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate
PubChem CID139469846
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Nametert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1C(O)(CN)CO
InChIInChI=1S/C13H26N2O4/c1-12(2,3)19-11(17)15-7-5-4-6-10(15)13(18,8-14)9-16/h10,16,18H,4-9,14H2,1-3H3/t10-,13?/m0/s1
InChIKeyANYIFENEMMYBGV-NKUHCKNESA-N
XLogP0.46
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 102537943
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl (2S)-2-(3-hydroxypentan-3-yl)pyrrolidine-1-carboxylate;3-cyclopentylpentan-3-ol;methane;sulfane
CID 167579710
tert-butyl (2S)-2-[(1R)-1-cyclopentyl-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 147955104
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl 2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
CID 102537931
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate
CID 97173182
tert-butyl 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
CID 175441419
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694
tert-butyl (2R)-2-(3-aminopropyl)piperidine-1-carboxylate
CID 34178148

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate (CID 139469846) is tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1C(O)(CN)CO.
What is the InChIKey of tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate?
The InChIKey is ANYIFENEMMYBGV-NKUHCKNESA-N. The full InChI is InChI=1S/C13H26N2O4/c1-12(2,3)19-11(17)15-7-5-4-6-10(15)13(18,8-14)9-16/h10,16,18H,4-9,14H2,1-3H3/t10-,13?/m0/s1.
What are the key properties of tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate?
tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 139469846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).