methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate

C9H17NO6 — CID 43422807

IUPACmethyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate
SMILESCOCCOCC(=O)NC(CO)C(=O)OC
InChIInChI=1S/C9H17NO6/c1-14-3-4-16-6-8(12)10-7(5-11)9(13)15-2/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyZKXGJMBDBCAANJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP-1.70
Rot. Bonds8

About methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate

methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate (PubChem CID 43422807) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate
PubChem CID43422807
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Namemethyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate
SMILESCOCCOCC(=O)NC(CO)C(=O)OC
InChIInChI=1S/C9H17NO6/c1-14-3-4-16-6-8(12)10-7(5-11)9(13)15-2/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyZKXGJMBDBCAANJ-UHFFFAOYSA-N
XLogP-1.70
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate
CID 104701957
methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate
CID 103940728
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide
CID 79255861
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-methoxyethoxy)acetamide
CID 103920046
methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
CID 90449496
methyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 43311461
N-butan-2-yl-2-(2-methoxyethoxy)acetamide
CID 60650985
methyl 2-(carbamoylamino)-3-hydroxypropanoate
CID 43311462
2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
CID 22961397
2-(2-methoxyethoxy)acetohydrazide
CID 43237114
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate
CID 103021727

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate (CID 43422807) is methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate is COCCOCC(=O)NC(CO)C(=O)OC.
What is the InChIKey of methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate?
The InChIKey is ZKXGJMBDBCAANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6/c1-14-3-4-16-6-8(12)10-7(5-11)9(13)15-2/h7,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate?
methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate has a molecular weight of 235.24 g/mol, XLogP of -1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate is sourced from PubChem (CID 43422807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).