2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid

C12H20N2O4 — CID 79275838

IUPAC2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H20N2O4/c1-4-5-13(8-11(15)16)12(17)14-6-9(2)18-10(3)7-14/h4,9-10H,1,5-8H2,2-3H3,(H,15,16)
InChIKeyCKAATZONMQLCBR-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.79
Rot. Bonds4

About 2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid

2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid (PubChem CID 79275838) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid
PubChem CID79275838
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H20N2O4/c1-4-5-13(8-11(15)16)12(17)14-6-9(2)18-10(3)7-14/h4,9-10H,1,5-8H2,2-3H3,(H,15,16)
InChIKeyCKAATZONMQLCBR-UHFFFAOYSA-N
XLogP0.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[morpholine-4-carbonyl(prop-2-enyl)amino]acetic acid
CID 79262594
2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid
CID 79275611
2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid
CID 79284954
2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid
CID 102736756
2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107438970
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-bis(prop-2-enyl)acetamide
CID 102935623
2-[(5-oxo-1,4-diazepane-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79286262
2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-prop-2-enylamino]acetic acid
CID 79285230
2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79270849
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid
CID 79265147

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid (CID 79275838) is 2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid?
The InChIKey is CKAATZONMQLCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-4-5-13(8-11(15)16)12(17)14-6-9(2)18-10(3)7-14/h4,9-10H,1,5-8H2,2-3H3,(H,15,16).
What are the key properties of 2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid?
2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79275838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).