4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid

C11H19N3O5 — CID 61428585

IUPAC4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCC1(C)COCCN1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-11(2)6-19-4-3-14(11)10(18)13-7(9(16)17)5-8(12)15/h7H,3-6H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyRHSLIEGBWQWIMJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.86
Rot. Bonds4

About 4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid

4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 61428585) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
PubChem CID61428585
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCC1(C)COCCN1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-11(2)6-19-4-3-14(11)10(18)13-7(9(16)17)5-8(12)15/h7H,3-6H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyRHSLIEGBWQWIMJ-UHFFFAOYSA-N
XLogP-0.86
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 61428247
(2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826658
2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 61428446
(2S)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107826661
(2R)-4-amino-2-(1,4-oxazepane-4-carbonylamino)-4-oxobutanoic acid
CID 107827630
4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 113364506
3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66177207
(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 78973108
(2S)-4-amino-4-oxo-2-(piperidine-1-carbonylamino)butanoic acid
CID 63716218
(2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005879
4-amino-3-(3,3-dimethylmorpholin-4-yl)butanamide
CID 66426683
(2S)-4-amino-2-[(7,7-dimethyl-1,4-thiazepane-4-carbonyl)amino]-4-oxobutanoic acid
CID 107457402

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid (CID 61428585) is 4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid is CC1(C)COCCN1C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is RHSLIEGBWQWIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-11(2)6-19-4-3-14(11)10(18)13-7(9(16)17)5-8(12)15/h7H,3-6H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid?
4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 273.29 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 61428585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).