tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate

C17H30N4O6 — CID 58677238

IUPACtert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN([C@@H](COCN)C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H30N4O6/c1-17(2,3)27-16(24)19-12-4-5-21(14(12)22)13(10-26-11-18)15(23)20-6-8-25-9-7-20/h12-13H,4-11,18H2,1-3H3,(H,19,24)/t12-,13-/m0/s1
InChIKeyIIQZOUGBRCUSQM-STQMWFEESA-N
MW386.45 g/mol
LogP-0.73
Rot. Bonds6

About tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 58677238) has the molecular formula C17H30N4O6 and a molecular weight of 386.45 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
PubChem CID58677238
Molecular FormulaC17H30N4O6
Molecular Weight386.45 g/mol
Exact Mass386.22
IUPAC Nametert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN([C@@H](COCN)C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H30N4O6/c1-17(2,3)27-16(24)19-12-4-5-21(14(12)22)13(10-26-11-18)15(23)20-6-8-25-9-7-20/h12-13H,4-11,18H2,1-3H3,(H,19,24)/t12-,13-/m0/s1
InChIKeyIIQZOUGBRCUSQM-STQMWFEESA-N
XLogP-0.73
TPSA123.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate (CID 58677238) is tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](COCN)C(=O)N2CCOCC2)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is IIQZOUGBRCUSQM-STQMWFEESA-N. The full InChI is InChI=1S/C17H30N4O6/c1-17(2,3)27-16(24)19-12-4-5-21(14(12)22)13(10-26-11-18)15(23)20-6-8-25-9-7-20/h12-13H,4-11,18H2,1-3H3,(H,19,24)/t12-,13-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 386.45 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 58677238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).