2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate

C7H15NO4 — CID 91412717

IUPAC2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate
SMILESCNC(CO)C(=O)OCCOC
InChIInChI=1S/C7H15NO4/c1-8-6(5-9)7(10)12-4-3-11-2/h6,8-9H,3-5H2,1-2H3
InChIKeyMOJXSPICINSLLH-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.24
Rot. Bonds6

About 2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate

2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate (PubChem CID 91412717) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate
PubChem CID91412717
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate
SMILESCNC(CO)C(=O)OCCOC
InChIInChI=1S/C7H15NO4/c1-8-6(5-9)7(10)12-4-3-11-2/h6,8-9H,3-5H2,1-2H3
InChIKeyMOJXSPICINSLLH-UHFFFAOYSA-N
XLogP-1.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate
CID 142791609
3-hydroxy-2-(methylamino)propanamide
CID 14241499
(2S)-3-hydroxy-2-(methylamino)propanamide
CID 10486833
2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
CID 103178278
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate
CID 58205614
(3R)-5-methoxy-3-(methylamino)pentan-2-one
CID 130319211
2-methoxyethyl 2,4-dimethylpentanoate
CID 142740017
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate
CID 43422807
methyl 4-(2-methoxyethylsulfanyl)-2-(methylamino)butanoate
CID 63033198
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
CID 104565015
methyl (2S)-3-hydroxy-2-(iodoamino)propanoate
CID 147455572

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate?
The IUPAC name of 2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate (CID 91412717) is 2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate.
What is the SMILES notation for 2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate?
The canonical SMILES for 2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate is CNC(CO)C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate?
The InChIKey is MOJXSPICINSLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-8-6(5-9)7(10)12-4-3-11-2/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate?
2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate has a molecular weight of 177.20 g/mol, XLogP of -1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate is sourced from PubChem (CID 91412717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).