2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride

C12H23ClN2O4 — CID 119912587

IUPAC2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
SMILESCC1CN(C(=O)CN(C)C(C)C(=O)O)CC(C)O1.Cl
InChIInChI=1S/C12H22N2O4.ClH/c1-8-5-14(6-9(2)18-8)11(15)7-13(4)10(3)12(16)17;/h8-10H,5-7H2,1-4H3,(H,16,17);1H
InChIKeyPVMRPIVJNLEXTO-UHFFFAOYSA-N
MW294.78 g/mol
LogP0.45
Rot. Bonds4

About 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride

2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride (PubChem CID 119912587) has the molecular formula C12H23ClN2O4 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
PubChem CID119912587
Molecular FormulaC12H23ClN2O4
Molecular Weight294.78 g/mol
Exact Mass294.13
IUPAC Name2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
SMILESCC1CN(C(=O)CN(C)C(C)C(=O)O)CC(C)O1.Cl
InChIInChI=1S/C12H22N2O4.ClH/c1-8-5-14(6-9(2)18-8)11(15)7-13(4)10(3)12(16)17;/h8-10H,5-7H2,1-4H3,(H,16,17);1H
InChIKeyPVMRPIVJNLEXTO-UHFFFAOYSA-N
XLogP0.45
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55096796
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]ethanone
CID 51727247
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride
CID 120874141
(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124835751
2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 66187363
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone
CID 119915244
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
1-(2,6-dimethylmorpholin-4-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 115758447
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]pentanoic acid
CID 43631730
2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 119358573
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride (CID 119912587) is 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride is CC1CN(C(=O)CN(C)C(C)C(=O)O)CC(C)O1.Cl.
What is the InChIKey of 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The InChIKey is PVMRPIVJNLEXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4.ClH/c1-8-5-14(6-9(2)18-8)11(15)7-13(4)10(3)12(16)17;/h8-10H,5-7H2,1-4H3,(H,16,17);1H.
What are the key properties of 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 119912587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).