(3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid

C13H22N2O4 — CID 68523362

IUPAC(3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid
SMILESCC1(C)CN(CC(=O)N2CCCC2)[C@H](C(=O)O)CO1
InChIInChI=1S/C13H22N2O4/c1-13(2)9-15(10(8-19-13)12(17)18)7-11(16)14-5-3-4-6-14/h10H,3-9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyUYHITMNUZIKNIN-JTQLQIEISA-N
MW270.33 g/mol
LogP0.17
Rot. Bonds3

About (3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid

(3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid (PubChem CID 68523362) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid
PubChem CID68523362
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid
SMILESCC1(C)CN(CC(=O)N2CCCC2)[C@H](C(=O)O)CO1
InChIInChI=1S/C13H22N2O4/c1-13(2)9-15(10(8-19-13)12(17)18)7-11(16)14-5-3-4-6-14/h10H,3-9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyUYHITMNUZIKNIN-JTQLQIEISA-N
XLogP0.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid?
The IUPAC name of (3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid (CID 68523362) is (3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid is CC1(C)CN(CC(=O)N2CCCC2)[C@H](C(=O)O)CO1.
What is the InChIKey of (3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid?
The InChIKey is UYHITMNUZIKNIN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2)9-15(10(8-19-13)12(17)18)7-11(16)14-5-3-4-6-14/h10H,3-9H2,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid?
(3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 68523362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).