tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate

C18H31N3O6 — CID 86606748

IUPACtert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCO[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C18H31N3O6/c1-12(25-5)14(16(23)20-8-10-26-11-9-20)21-7-6-13(15(21)22)19-17(24)27-18(2,3)4/h12-14H,6-11H2,1-5H3,(H,19,24)/t12-,13+,14+/m1/s1
InChIKeyUYBNACOABHRIFK-RDBSUJKOSA-N
MW385.46 g/mol
LogP0.37
Rot. Bonds5

About tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 86606748) has the molecular formula C18H31N3O6 and a molecular weight of 385.46 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
PubChem CID86606748
Molecular FormulaC18H31N3O6
Molecular Weight385.46 g/mol
Exact Mass385.22
IUPAC Nametert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCO[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C18H31N3O6/c1-12(25-5)14(16(23)20-8-10-26-11-9-20)21-7-6-13(15(21)22)19-17(24)27-18(2,3)4/h12-14H,6-11H2,1-5H3,(H,19,24)/t12-,13+,14+/m1/s1
InChIKeyUYBNACOABHRIFK-RDBSUJKOSA-N
XLogP0.37
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate (CID 86606748) is tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate is CO[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is UYBNACOABHRIFK-RDBSUJKOSA-N. The full InChI is InChI=1S/C18H31N3O6/c1-12(25-5)14(16(23)20-8-10-26-11-9-20)21-7-6-13(15(21)22)19-17(24)27-18(2,3)4/h12-14H,6-11H2,1-5H3,(H,19,24)/t12-,13+,14+/m1/s1.
What are the key properties of tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 385.46 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 86606748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).