3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide

C10H19N3O3 — CID 60846923

IUPAC3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide
SMILESCC1(C)CN(C(=O)C(N)CC(N)=O)CCO1
InChIInChI=1S/C10H19N3O3/c1-10(2)6-13(3-4-16-10)9(15)7(11)5-8(12)14/h7H,3-6,11H2,1-2H3,(H2,12,14)
InChIKeyNLEBVTYTLXBUJI-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.17
Rot. Bonds3

About 3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide

3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide (PubChem CID 60846923) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound Name3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide
PubChem CID60846923
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide
SMILESCC1(C)CN(C(=O)C(N)CC(N)=O)CCO1
InChIInChI=1S/C10H19N3O3/c1-10(2)6-13(3-4-16-10)9(15)7(11)5-8(12)14/h7H,3-6,11H2,1-2H3,(H2,12,14)
InChIKeyNLEBVTYTLXBUJI-UHFFFAOYSA-N
XLogP-1.17
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide?
The IUPAC name of 3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide (CID 60846923) is 3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide.
What is the SMILES notation for 3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide?
The canonical SMILES for 3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide is CC1(C)CN(C(=O)C(N)CC(N)=O)CCO1.
What is the InChIKey of 3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide?
The InChIKey is NLEBVTYTLXBUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2)6-13(3-4-16-10)9(15)7(11)5-8(12)14/h7H,3-6,11H2,1-2H3,(H2,12,14).
What are the key properties of 3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide?
3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide has a molecular weight of 229.28 g/mol, XLogP of -1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,2-dimethylmorpholin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 60846923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).