tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate

C15H28N2O6 — CID 67113983

IUPACtert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate
SMILESCCN(C[C@@H]1COC[C@H](OC)N1C(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C15H28N2O6/c1-7-16(13(18)21-6)8-11-9-22-10-12(20-5)17(11)14(19)23-15(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+/m1/s1
InChIKeyGFKKKBNFTJRXJE-NEPJUHHUSA-N
MW332.40 g/mol
LogP1.68
Rot. Bonds4

About tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate

tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate (PubChem CID 67113983) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate
PubChem CID67113983
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC Nametert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate
SMILESCCN(C[C@@H]1COC[C@H](OC)N1C(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C15H28N2O6/c1-7-16(13(18)21-6)8-11-9-22-10-12(20-5)17(11)14(19)23-15(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+/m1/s1
InChIKeyGFKKKBNFTJRXJE-NEPJUHHUSA-N
XLogP1.68
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate (CID 67113983) is tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate is CCN(C[C@@H]1COC[C@H](OC)N1C(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate?
The InChIKey is GFKKKBNFTJRXJE-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H28N2O6/c1-7-16(13(18)21-6)8-11-9-22-10-12(20-5)17(11)14(19)23-15(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate?
tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate is sourced from PubChem (CID 67113983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).