ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

C13H24N2O5 — CID 11055334

IUPACethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C1
InChIInChI=1S/C13H24N2O5/c1-5-19-12(18)15-7-6-9(10(16)8-15)14-11(17)20-13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,14,17)/t9-,10+/m1/s1
InChIKeyAKKQESDEJJTKCC-ZJUUUORDSA-N
MW288.34 g/mol
LogP1.10
Rot. Bonds2

About ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (PubChem CID 11055334) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
PubChem CID11055334
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Nameethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C1
InChIInChI=1S/C13H24N2O5/c1-5-19-12(18)15-7-6-9(10(16)8-15)14-11(17)20-13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,14,17)/t9-,10+/m1/s1
InChIKeyAKKQESDEJJTKCC-ZJUUUORDSA-N
XLogP1.10
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (CID 11055334) is ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is CCOC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C1.
What is the InChIKey of ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The InChIKey is AKKQESDEJJTKCC-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-5-19-12(18)15-7-6-9(10(16)8-15)14-11(17)20-13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,14,17)/t9-,10+/m1/s1.
What are the key properties of ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate has a molecular weight of 288.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 11055334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).