(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one

C17H30N4O3 — CID 69154388

IUPAC(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one
SMILESN[C@H]1CCN([C@@H](CCN2CCCCC2)C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H30N4O3/c18-14-4-9-21(16(14)22)15(5-8-19-6-2-1-3-7-19)17(23)20-10-12-24-13-11-20/h14-15H,1-13,18H2/t14-,15-/m0/s1
InChIKeyRXCHJYCVVHWLGT-GJZGRUSLSA-N
MW338.45 g/mol
LogP-0.35
Rot. Bonds5

About (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one

(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one (PubChem CID 69154388) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one
PubChem CID69154388
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one
SMILESN[C@H]1CCN([C@@H](CCN2CCCCC2)C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H30N4O3/c18-14-4-9-21(16(14)22)15(5-8-19-6-2-1-3-7-19)17(23)20-10-12-24-13-11-20/h14-15H,1-13,18H2/t14-,15-/m0/s1
InChIKeyRXCHJYCVVHWLGT-GJZGRUSLSA-N
XLogP-0.35
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one (CID 69154388) is (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one is N[C@H]1CCN([C@@H](CCN2CCCCC2)C(=O)N2CCOCC2)C1=O.
What is the InChIKey of (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one?
The InChIKey is RXCHJYCVVHWLGT-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H30N4O3/c18-14-4-9-21(16(14)22)15(5-8-19-6-2-1-3-7-19)17(23)20-10-12-24-13-11-20/h14-15H,1-13,18H2/t14-,15-/m0/s1.
What are the key properties of (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one?
(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one has a molecular weight of 338.45 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 69154388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).