3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid

C9H15NO4 — CID 103340053

IUPAC3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid
SMILESC=CCN(CCOC)C(=O)CC(=O)O
InChIInChI=1S/C9H15NO4/c1-3-4-10(5-6-14-2)8(11)7-9(12)13/h3H,1,4-7H2,2H3,(H,12,13)
InChIKeyVTHLNBPXQWCPJT-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.12
Rot. Bonds7

About 3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid

3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid (PubChem CID 103340053) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid
PubChem CID103340053
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid
SMILESC=CCN(CCOC)C(=O)CC(=O)O
InChIInChI=1S/C9H15NO4/c1-3-4-10(5-6-14-2)8(11)7-9(12)13/h3H,1,4-7H2,2H3,(H,12,13)
InChIKeyVTHLNBPXQWCPJT-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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid (CID 103340053) is 3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid is C=CCN(CCOC)C(=O)CC(=O)O.
What is the InChIKey of 3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid?
The InChIKey is VTHLNBPXQWCPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-4-10(5-6-14-2)8(11)7-9(12)13/h3H,1,4-7H2,2H3,(H,12,13).
What are the key properties of 3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid?
3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic 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-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 103340053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).