2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid

C11H20N2O5 — CID 81085268

IUPAC2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)N1CC(C)OCC1C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-7-5-18-8(2)4-13(7)11(16)12-9(6-17-3)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyABXFKBLYOFNAQY-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.10
Rot. Bonds4

About 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid

2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid (PubChem CID 81085268) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid
PubChem CID81085268
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)N1CC(C)OCC1C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-7-5-18-8(2)4-13(7)11(16)12-9(6-17-3)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyABXFKBLYOFNAQY-UHFFFAOYSA-N
XLogP-0.10
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 61201292
(2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 61202045
(2R)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895016
(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566402
4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 61425360
(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838466
2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81082355
3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
CID 81077004
2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61266346
2-[(3-tert-butylpyrrolidine-1-carbonyl)amino]-3-methoxypropanoic acid
CID 113418214
5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 82687889
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid
CID 81084776

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid (CID 81085268) is 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid is COCC(NC(=O)N1CC(C)OCC1C)C(=O)O.
What is the InChIKey of 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid?
The InChIKey is ABXFKBLYOFNAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7-5-18-8(2)4-13(7)11(16)12-9(6-17-3)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid?
2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81085268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).