methyl 2-(N-(2-methoxyacetyl)anilino)propanoate

C13H17NO4 — CID 4001854

IUPACmethyl 2-(N-(2-methoxyacetyl)anilino)propanoate
SMILESCOCC(=O)N(c1ccccc1)C(C)C(=O)OC
InChIInChI=1S/C13H17NO4/c1-10(13(16)18-3)14(12(15)9-17-2)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyKIJUZUWPPGRWBA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.23
Rot. Bonds5

About methyl 2-(N-(2-methoxyacetyl)anilino)propanoate

methyl 2-(N-(2-methoxyacetyl)anilino)propanoate (PubChem CID 4001854) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-(N-(2-methoxyacetyl)anilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(N-(2-methoxyacetyl)anilino)propanoate
PubChem CID4001854
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 2-(N-(2-methoxyacetyl)anilino)propanoate
SMILESCOCC(=O)N(c1ccccc1)C(C)C(=O)OC
InChIInChI=1S/C13H17NO4/c1-10(13(16)18-3)14(12(15)9-17-2)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyKIJUZUWPPGRWBA-UHFFFAOYSA-N
XLogP1.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-(2-methoxyacetyl)anilino)propanoate?
The IUPAC name of methyl 2-(N-(2-methoxyacetyl)anilino)propanoate (CID 4001854) is methyl 2-(N-(2-methoxyacetyl)anilino)propanoate.
What is the SMILES notation for methyl 2-(N-(2-methoxyacetyl)anilino)propanoate?
The canonical SMILES for methyl 2-(N-(2-methoxyacetyl)anilino)propanoate is COCC(=O)N(c1ccccc1)C(C)C(=O)OC.
What is the InChIKey of methyl 2-(N-(2-methoxyacetyl)anilino)propanoate?
The InChIKey is KIJUZUWPPGRWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-10(13(16)18-3)14(12(15)9-17-2)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of methyl 2-(N-(2-methoxyacetyl)anilino)propanoate?
methyl 2-(N-(2-methoxyacetyl)anilino)propanoate has a molecular weight of 251.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-(2-methoxyacetyl)anilino)propanoate is sourced from PubChem (CID 4001854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).