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

C13H17NO4 — CID 113374728

IUPAC3-[N-(2-methoxypropanoyl)anilino]propanoic acid
SMILESCOC(C)C(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-10(18-2)13(17)14(9-8-12(15)16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16)
InChIKeyXONKBYIUAWGJFA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.53
Rot. Bonds6

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

3-[N-(2-methoxypropanoyl)anilino]propanoic acid (PubChem CID 113374728) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-[N-(2-methoxypropanoyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(2-methoxypropanoyl)anilino]propanoic acid
PubChem CID113374728
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-[N-(2-methoxypropanoyl)anilino]propanoic acid
SMILESCOC(C)C(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-10(18-2)13(17)14(9-8-12(15)16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16)
InChIKeyXONKBYIUAWGJFA-UHFFFAOYSA-N
XLogP1.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-(2-acetamidopropanoyl)anilino]propanoic acid
CID 60830268
3-(N-[(2S)-2-aminobutanoyl]anilino)propanoic acid
CID 79023442
2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
CID 4940214
3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
CID 112602036
3-(N-(2-amino-3,3-dimethylbutanoyl)anilino)propanoic acid
CID 76894166
3-amino-4-[N-(2-carboxyethyl)anilino]-4-oxobutanoic acid
CID 64897103
2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide
CID 4943546
2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide
CID 23325989
3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid
CID 62338366
3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid
CID 61187915
3-(N-[methyl(pentan-2-yl)carbamoyl]anilino)propanoic acid
CID 61203469
3-(N-methoxyanilino)propanoic acid
CID 159444920

Frequently Asked Questions

What is the IUPAC name of 3-[N-(2-methoxypropanoyl)anilino]propanoic acid?
The IUPAC name of 3-[N-(2-methoxypropanoyl)anilino]propanoic acid (CID 113374728) is 3-[N-(2-methoxypropanoyl)anilino]propanoic acid.
What is the SMILES notation for 3-[N-(2-methoxypropanoyl)anilino]propanoic acid?
The canonical SMILES for 3-[N-(2-methoxypropanoyl)anilino]propanoic acid is COC(C)C(=O)N(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[N-(2-methoxypropanoyl)anilino]propanoic acid?
The InChIKey is XONKBYIUAWGJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-10(18-2)13(17)14(9-8-12(15)16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[N-(2-methoxypropanoyl)anilino]propanoic acid?
3-[N-(2-methoxypropanoyl)anilino]propanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(2-methoxypropanoyl)anilino]propanoic acid is sourced from PubChem (CID 113374728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).