2-methoxyethyl 3-amino-2-hydroxypropanoate

C6H13NO4 — CID 66165602

IUPAC2-methoxyethyl 3-amino-2-hydroxypropanoate
SMILESCOCCOC(=O)C(O)CN
InChIInChI=1S/C6H13NO4/c1-10-2-3-11-6(9)5(8)4-7/h5,8H,2-4,7H2,1H3
InChIKeyRBMJPCRXFSYWDO-UHFFFAOYSA-N
MW163.17 g/mol
LogP-1.50
Rot. Bonds5

About 2-methoxyethyl 3-amino-2-hydroxypropanoate

2-methoxyethyl 3-amino-2-hydroxypropanoate (PubChem CID 66165602) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-methoxyethyl 3-amino-2-hydroxypropanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-amino-2-hydroxypropanoate
PubChem CID66165602
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-methoxyethyl 3-amino-2-hydroxypropanoate
SMILESCOCCOC(=O)C(O)CN
InChIInChI=1S/C6H13NO4/c1-10-2-3-11-6(9)5(8)4-7/h5,8H,2-4,7H2,1H3
InChIKeyRBMJPCRXFSYWDO-UHFFFAOYSA-N
XLogP-1.50
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.50
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

2-(2-methylpropoxy)ethyl (2S)-3-amino-2-hydroxypropanoate
CID 107837701
1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate
CID 107837627
bis(4-methoxybutyl) 2-hydroxybutanedioate
CID 139707067
2-methoxyethyl 2-amino-3-hydroxybutanoate
CID 61279925
1-O-[3-[(2R,3R)-4-[3-[(2R,3R)-2,3-dihydroxy-4-(3-methoxypropoxy)-4-oxobutanoyl]oxypropoxy]-2,3-dihydroxy-4-oxobutanoyl]oxypropyl] 4-O-(3-methoxypropyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 101011423
4-amino-3-hydroxybutan-2-one
CID 22025309
3-methoxypropyl 3-amino-2-methoxypropanoate
CID 106109463
2-methoxyethyl 3-methyl-2-sulfanylbutanoate
CID 107018500
2-methoxyethyl 2,4-dimethylpentanoate
CID 142740017
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate
CID 103178431
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate
CID 58205614

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-amino-2-hydroxypropanoate?
The IUPAC name of 2-methoxyethyl 3-amino-2-hydroxypropanoate (CID 66165602) is 2-methoxyethyl 3-amino-2-hydroxypropanoate.
What is the SMILES notation for 2-methoxyethyl 3-amino-2-hydroxypropanoate?
The canonical SMILES for 2-methoxyethyl 3-amino-2-hydroxypropanoate is COCCOC(=O)C(O)CN.
What is the InChIKey of 2-methoxyethyl 3-amino-2-hydroxypropanoate?
The InChIKey is RBMJPCRXFSYWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-10-2-3-11-6(9)5(8)4-7/h5,8H,2-4,7H2,1H3.
What are the key properties of 2-methoxyethyl 3-amino-2-hydroxypropanoate?
2-methoxyethyl 3-amino-2-hydroxypropanoate has a molecular weight of 163.17 g/mol, XLogP of -1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-amino-2-hydroxypropanoate is sourced from PubChem (CID 66165602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).