3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid

C13H18N2O4 — CID 61187915

IUPAC3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid
SMILESCOCCNC(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O4/c1-19-10-8-14-13(18)15(9-7-12(16)17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,18)(H,16,17)
InChIKeyMVFDGJFQFHOURZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.32
Rot. Bonds7

About 3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid

3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid (PubChem CID 61187915) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid
PubChem CID61187915
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid
SMILESCOCCNC(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O4/c1-19-10-8-14-13(18)15(9-7-12(16)17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,18)(H,16,17)
InChIKeyMVFDGJFQFHOURZ-UHFFFAOYSA-N
XLogP1.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid
CID 62275370
1-(2-methoxyethyl)-3-methyl-1-phenylurea
CID 143444649
3-(N-[2-(2-methoxyethylsulfanyl)acetyl]anilino)propanoic acid
CID 60832305
4-[N-(3-methylsulfanylpropylcarbamoyl)anilino]butanoic acid
CID 63958568
3-[N-(2-methoxypropanoyl)anilino]propanoic acid
CID 113374728
N-(2-methoxyethyl)-N',N'-diphenylbutanediamide
CID 3996534
1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea
CID 90570353
4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
CID 61188835
1-(3-amino-3-sulfanylidenepropyl)-3-butyl-1-phenylurea
CID 28787290
4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid
CID 114814446
3-(N-methoxyanilino)propanoic acid
CID 159444920

Frequently Asked Questions

What is the IUPAC name of 3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid?
The IUPAC name of 3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid (CID 61187915) is 3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid.
What is the SMILES notation for 3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid?
The canonical SMILES for 3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid is COCCNC(=O)N(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid?
The InChIKey is MVFDGJFQFHOURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-10-8-14-13(18)15(9-7-12(16)17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid?
3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid is sourced from PubChem (CID 61187915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).