3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid

C11H20N2O4 — CID 43466609

IUPAC3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid
SMILESCC1CN(C(=O)CNCCC(=O)O)CC(C)O1
InChIInChI=1S/C11H20N2O4/c1-8-6-13(7-9(2)17-8)10(14)5-12-4-3-11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyCYFJPNNFBXIKMZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds5

About 3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid

3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid (PubChem CID 43466609) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid
PubChem CID43466609
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid
SMILESCC1CN(C(=O)CNCCC(=O)O)CC(C)O1
InChIInChI=1S/C11H20N2O4/c1-8-6-13(7-9(2)17-8)10(14)5-12-4-3-11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyCYFJPNNFBXIKMZ-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone
CID 60687539
4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid
CID 43473794
4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61187052
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]pentanoic acid
CID 43631730
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
3-[[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]propanoic acid
CID 125151081
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899
2-(2-methoxyethylamino)-1-(2-methyl-6-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119751382
6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid
CID 43447293
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid (CID 43466609) is 3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid is CC1CN(C(=O)CNCCC(=O)O)CC(C)O1.
What is the InChIKey of 3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid?
The InChIKey is CYFJPNNFBXIKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8-6-13(7-9(2)17-8)10(14)5-12-4-3-11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid?
3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).