(3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one

C13H23N3O4 — CID 69153235

IUPAC(3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one
SMILESCO[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N)C1=O
InChIInChI=1S/C13H23N3O4/c1-9(19-2)11(16-4-3-10(14)12(16)17)13(18)15-5-7-20-8-6-15/h9-11H,3-8,14H2,1-2H3/t9-,10+,11+/m1/s1
InChIKeyVQXDMVAFNSRWOV-VWYCJHECSA-N
MW285.34 g/mol
LogP-1.19
Rot. Bonds4

About (3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one

(3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one (PubChem CID 69153235) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one
PubChem CID69153235
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one
SMILESCO[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N)C1=O
InChIInChI=1S/C13H23N3O4/c1-9(19-2)11(16-4-3-10(14)12(16)17)13(18)15-5-7-20-8-6-15/h9-11H,3-8,14H2,1-2H3/t9-,10+,11+/m1/s1
InChIKeyVQXDMVAFNSRWOV-VWYCJHECSA-N
XLogP-1.19
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-1.19
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,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one (CID 69153235) is (3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one is CO[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one?
The InChIKey is VQXDMVAFNSRWOV-VWYCJHECSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(19-2)11(16-4-3-10(14)12(16)17)13(18)15-5-7-20-8-6-15/h9-11H,3-8,14H2,1-2H3/t9-,10+,11+/m1/s1.
What are the key properties of (3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one?
(3S)-3-amino-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one has a molecular weight of 285.34 g/mol, XLogP of -1.19, 4 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,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 69153235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).