4-(3-hydroxy-N-methylanilino)butanoic acid

C11H15NO3 — CID 103828767

IUPAC4-(3-hydroxy-N-methylanilino)butanoic acid
SMILESCN(CCCC(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-12(7-3-6-11(14)15)9-4-2-5-10(13)8-9/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,15)
InChIKeyJVTCZRJRQBJMGK-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.69
Rot. Bonds5

About 4-(3-hydroxy-N-methylanilino)butanoic acid

4-(3-hydroxy-N-methylanilino)butanoic acid (PubChem CID 103828767) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(3-hydroxy-N-methylanilino)butanoic acid.

Molecular Properties

Compound Name4-(3-hydroxy-N-methylanilino)butanoic acid
PubChem CID103828767
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name4-(3-hydroxy-N-methylanilino)butanoic acid
SMILESCN(CCCC(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-12(7-3-6-11(14)15)9-4-2-5-10(13)8-9/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,15)
InChIKeyJVTCZRJRQBJMGK-UHFFFAOYSA-N
XLogP1.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-ethyl-3-hydroxyanilino)butanoic acid
CID 103275044
5-(3-bromo-N-methylanilino)pentanoic acid
CID 115218995
4-[N-methyl-3-(trifluoromethoxy)anilino]butanoic acid
CID 119135300
3-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 23390580
2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid
CID 107736699
3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol
CID 57177838
1-[2-(3-hydroxy-N-methylanilino)ethyl]cyclopropane-1-carboxylic acid
CID 84797407
6-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]hexanoic acid
CID 107737234
4-(3,5-dichloro-N-methylanilino)butanoic acid
CID 100520237
4-(4-chloro-N-methylanilino)butanoic acid
CID 19918557
3-[tert-butyl-[(3-hydroxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 107737269
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-N-methylanilino)butanoic acid?
The IUPAC name of 4-(3-hydroxy-N-methylanilino)butanoic acid (CID 103828767) is 4-(3-hydroxy-N-methylanilino)butanoic acid.
What is the SMILES notation for 4-(3-hydroxy-N-methylanilino)butanoic acid?
The canonical SMILES for 4-(3-hydroxy-N-methylanilino)butanoic acid is CN(CCCC(=O)O)c1cccc(O)c1.
What is the InChIKey of 4-(3-hydroxy-N-methylanilino)butanoic acid?
The InChIKey is JVTCZRJRQBJMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12(7-3-6-11(14)15)9-4-2-5-10(13)8-9/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,15).
What are the key properties of 4-(3-hydroxy-N-methylanilino)butanoic acid?
4-(3-hydroxy-N-methylanilino)butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-N-methylanilino)butanoic acid is sourced from PubChem (CID 103828767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).