methyl 3-[(2-methoxyacetyl)amino]propanoate

C7H13NO4 — CID 60637209

IUPACmethyl 3-[(2-methoxyacetyl)amino]propanoate
SMILESCOCC(=O)NCCC(=O)OC
InChIInChI=1S/C7H13NO4/c1-11-5-6(9)8-4-3-7(10)12-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyZGUARLKKHWAGEV-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.69
Rot. Bonds5

About methyl 3-[(2-methoxyacetyl)amino]propanoate

methyl 3-[(2-methoxyacetyl)amino]propanoate (PubChem CID 60637209) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl 3-[(2-methoxyacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxyacetyl)amino]propanoate
PubChem CID60637209
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl 3-[(2-methoxyacetyl)amino]propanoate
SMILESCOCC(=O)NCCC(=O)OC
InChIInChI=1S/C7H13NO4/c1-11-5-6(9)8-4-3-7(10)12-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyZGUARLKKHWAGEV-UHFFFAOYSA-N
XLogP-0.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-sulfanylacetyl)amino]propanoate
CID 87900240
methyl 3-[(2-aminoacetyl)amino]propanoate
CID 60672581
methyl 3-(3-oxobutanoylamino)propanoate
CID 61249216
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138
methyl 3-[[4-(methylamino)-4-oxobutanoyl]amino]propanoate
CID 170452403
ethane;N-[2-[(2-methoxyacetyl)amino]ethyl]propanamide
CID 156794805
methyl 3-[(3-amino-3-sulfanylidenepropanoyl)amino]propanoate
CID 61293180
methyl 3-(3-methylsulfonylpropanoylamino)propanoate
CID 55029430
methyl 3-(carboniodidoylamino)propanoate
CID 129042204
methyl 3-[(2-formamidoacetyl)amino]propanoate
CID 127519438
2-methoxy-N-(3-methylsulfonylpropyl)acetamide
CID 61149401
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-(2-methoxyethoxy)propanamide
CID 59805161

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxyacetyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-methoxyacetyl)amino]propanoate (CID 60637209) is methyl 3-[(2-methoxyacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-methoxyacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-methoxyacetyl)amino]propanoate is COCC(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-[(2-methoxyacetyl)amino]propanoate?
The InChIKey is ZGUARLKKHWAGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-11-5-6(9)8-4-3-7(10)12-2/h3-5H2,1-2H3,(H,8,9).
What are the key properties of methyl 3-[(2-methoxyacetyl)amino]propanoate?
methyl 3-[(2-methoxyacetyl)amino]propanoate has a molecular weight of 175.18 g/mol, XLogP of -0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxyacetyl)amino]propanoate is sourced from PubChem (CID 60637209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).