3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid

C9H15NO4 — CID 82325658

IUPAC3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid
SMILESC=CCN(CCC(=O)O)C(=O)COC
InChIInChI=1S/C9H15NO4/c1-3-5-10(6-4-9(12)13)8(11)7-14-2/h3H,1,4-7H2,2H3,(H,12,13)
InChIKeyJMNRIVRQDSTRHX-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.12
Rot. Bonds7

About 3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid

3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid (PubChem CID 82325658) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid
PubChem CID82325658
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid
SMILESC=CCN(CCC(=O)O)C(=O)COC
InChIInChI=1S/C9H15NO4/c1-3-5-10(6-4-9(12)13)8(11)7-14-2/h3H,1,4-7H2,2H3,(H,12,13)
InChIKeyJMNRIVRQDSTRHX-UHFFFAOYSA-N
XLogP0.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid?
The IUPAC name of 3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid (CID 82325658) is 3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid.
What is the SMILES notation for 3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid?
The canonical SMILES for 3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid is C=CCN(CCC(=O)O)C(=O)COC.
What is the InChIKey of 3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid?
The InChIKey is JMNRIVRQDSTRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-5-10(6-4-9(12)13)8(11)7-14-2/h3H,1,4-7H2,2H3,(H,12,13).
What are the key properties of 3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid?
3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyacetyl)-prop-2-enylamino]propanoic acid is sourced from PubChem (CID 82325658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).