2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid

C10H19NO4 — CID 103224901

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H19NO4/c1-7-4-11(5-8(2)15-7)9(6-14-3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8+,9?
InChIKeyVBBVLRBVMWIQLI-JVHMLUBASA-N
MW217.26 g/mol
LogP0.20
Rot. Bonds4

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid (PubChem CID 103224901) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid
PubChem CID103224901
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H19NO4/c1-7-4-11(5-8(2)15-7)9(6-14-3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8+,9?
InChIKeyVBBVLRBVMWIQLI-JVHMLUBASA-N
XLogP0.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-3-methoxypropanoic acid
CID 103224473
3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 103224568
3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid
CID 103224529
(2R)-3-methoxy-2-(4-methyl-3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)propanoic acid
CID 158879294
2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid
CID 81082367
2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid
CID 103224616
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid
CID 104959290
3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
CID 103224633
methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104959277
2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid
CID 103224650
2-(2-azaspiro[3.6]decan-2-yl)-3-methoxypropanoic acid
CID 81082086

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid (CID 103224901) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid is COCC(C(=O)O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid?
The InChIKey is VBBVLRBVMWIQLI-JVHMLUBASA-N. The full InChI is InChI=1S/C10H19NO4/c1-7-4-11(5-8(2)15-7)9(6-14-3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8+,9?.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid is sourced from PubChem (CID 103224901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).