3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid

C13H19NO4 — CID 103268791

IUPAC3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
SMILESCOCCc1ccccc1NC(COC)C(=O)O
InChIInChI=1S/C13H19NO4/c1-17-8-7-10-5-3-4-6-11(10)14-12(9-18-2)13(15)16/h3-6,12,14H,7-9H2,1-2H3,(H,15,16)
InChIKeyZYVZIYANIBOWCK-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.39
Rot. Bonds8

About 3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid

3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid (PubChem CID 103268791) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
PubChem CID103268791
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
SMILESCOCCc1ccccc1NC(COC)C(=O)O
InChIInChI=1S/C13H19NO4/c1-17-8-7-10-5-3-4-6-11(10)14-12(9-18-2)13(15)16/h3-6,12,14H,7-9H2,1-2H3,(H,15,16)
InChIKeyZYVZIYANIBOWCK-UHFFFAOYSA-N
XLogP1.39
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate
CID 102905002
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
3-methoxy-2-(2-nitroanilino)propanoic acid
CID 81077702
2-[2-(methoxymethyl)anilino]pentanoic acid
CID 83041000
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074
3-methoxy-2-(4-phenylanilino)propanoic acid
CID 103230384
2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 102907053
2-(2-methoxyethyl)-N-(3-methylpentan-2-yl)aniline
CID 102848997
2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905071
(E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid
CID 103268817

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid?
The IUPAC name of 3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid (CID 103268791) is 3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid is COCCc1ccccc1NC(COC)C(=O)O.
What is the InChIKey of 3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid?
The InChIKey is ZYVZIYANIBOWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-17-8-7-10-5-3-4-6-11(10)14-12(9-18-2)13(15)16/h3-6,12,14H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid?
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid is sourced from PubChem (CID 103268791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).