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

C14H25N3O4 — CID 69154209

IUPAC(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one
SMILESCC(C)OC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N)C1=O
InChIInChI=1S/C14H25N3O4/c1-10(2)21-9-12(17-4-3-11(15)13(17)18)14(19)16-5-7-20-8-6-16/h10-12H,3-9,15H2,1-2H3/t11-,12-/m0/s1
InChIKeySKHDGYJFOQHNCU-RYUDHWBXSA-N
MW299.37 g/mol
LogP-0.80
Rot. Bonds5

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

(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one (PubChem CID 69154209) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one
PubChem CID69154209
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one
SMILESCC(C)OC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N)C1=O
InChIInChI=1S/C14H25N3O4/c1-10(2)21-9-12(17-4-3-11(15)13(17)18)14(19)16-5-7-20-8-6-16/h10-12H,3-9,15H2,1-2H3/t11-,12-/m0/s1
InChIKeySKHDGYJFOQHNCU-RYUDHWBXSA-N
XLogP-0.80
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.80
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-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one (CID 69154209) is (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one is CC(C)OC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one?
The InChIKey is SKHDGYJFOQHNCU-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(2)21-9-12(17-4-3-11(15)13(17)18)14(19)16-5-7-20-8-6-16/h10-12H,3-9,15H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one?
(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one has a molecular weight of 299.37 g/mol, XLogP of -0.80, 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-3-propan-2-yloxypropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 69154209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).