2-(N-butanoyl-4-methoxyanilino)acetic acid

C13H17NO4 — CID 28765925

IUPAC2-(N-butanoyl-4-methoxyanilino)acetic acid
SMILESCCCC(=O)N(CC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO4/c1-3-4-12(15)14(9-13(16)17)10-5-7-11(18-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyRZNGRIJBTAXNBW-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.91
Rot. Bonds6

About 2-(N-butanoyl-4-methoxyanilino)acetic acid

2-(N-butanoyl-4-methoxyanilino)acetic acid (PubChem CID 28765925) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(N-butanoyl-4-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-butanoyl-4-methoxyanilino)acetic acid
PubChem CID28765925
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(N-butanoyl-4-methoxyanilino)acetic acid
SMILESCCCC(=O)N(CC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO4/c1-3-4-12(15)14(9-13(16)17)10-5-7-11(18-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyRZNGRIJBTAXNBW-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid
CID 28765944
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid
CID 62590216
N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646
2-(N-heptanoyl-4-hydroxyanilino)acetic acid
CID 60832829
ethyl 3-(N-(2-ethoxy-2-oxoethyl)-4-methoxyanilino)-3-oxopropanoate
CID 46398234
2-(4-chloro-N-octanoylanilino)acetic acid
CID 60826659
4-(N-[2-(N-acetyl-4-methoxyanilino)acetyl]-4-methoxyanilino)butanoic acid
CID 3054589
2-chloro-N-ethyl-N-(4-methoxyphenyl)acetamide
CID 53416981
2-(4-ethyl-N-propanoylanilino)acetic acid
CID 28766085
2-(4-methoxy-N-(1-oxothiane-4-carbonyl)anilino)acetic acid
CID 22318062
2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 63644464

Frequently Asked Questions

What is the IUPAC name of 2-(N-butanoyl-4-methoxyanilino)acetic acid?
The IUPAC name of 2-(N-butanoyl-4-methoxyanilino)acetic acid (CID 28765925) is 2-(N-butanoyl-4-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(N-butanoyl-4-methoxyanilino)acetic acid?
The canonical SMILES for 2-(N-butanoyl-4-methoxyanilino)acetic acid is CCCC(=O)N(CC(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-(N-butanoyl-4-methoxyanilino)acetic acid?
The InChIKey is RZNGRIJBTAXNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-4-12(15)14(9-13(16)17)10-5-7-11(18-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(N-butanoyl-4-methoxyanilino)acetic acid?
2-(N-butanoyl-4-methoxyanilino)acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-butanoyl-4-methoxyanilino)acetic acid is sourced from PubChem (CID 28765925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).