4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid

C11H15NO3 — CID 147230924

IUPAC4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid
SMILESCN(O)c1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-12(15)10-7-5-9(6-8-10)3-2-4-11(13)14/h5-8,15H,2-4H2,1H3,(H,13,14)
InChIKeyCIXADNKCRCBWMX-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.92
Rot. Bonds5

About 4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid

4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid (PubChem CID 147230924) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid
PubChem CID147230924
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid
SMILESCN(O)c1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-12(15)10-7-5-9(6-8-10)3-2-4-11(13)14/h5-8,15H,2-4H2,1H3,(H,13,14)
InChIKeyCIXADNKCRCBWMX-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(dimethylamino)methyl]phenyl]butanoic acid
CID 117316229
4-[4-[bis(chloromethyl)amino]phenyl]butanoic acid
CID 58706117
4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid;hydrobromide
CID 68943656
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
4-(4-iodophenyl)butanoic acid
CID 4645427
[4-(3-carboxypropyl)phenyl]-methylazanide
CID 58832285
4-[4-(3-hydroxy-3-methylbutyl)phenyl]butanoic acid
CID 117108398
4-[4-butyl-N-(2-carboxyethyl)anilino]butanoic acid
CID 95532684
3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
CID 19776431
10-(4-methylphenyl)decanoic acid
CID 54262490
4-[4-(4-bromophenyl)phenyl]butanoic acid
CID 21437969
4-(4-isocyanophenyl)butanoic acid
CID 58502572

Frequently Asked Questions

What is the IUPAC name of 4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid?
The IUPAC name of 4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid (CID 147230924) is 4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid is CN(O)c1ccc(CCCC(=O)O)cc1.
What is the InChIKey of 4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid?
The InChIKey is CIXADNKCRCBWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12(15)10-7-5-9(6-8-10)3-2-4-11(13)14/h5-8,15H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid?
4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid is sourced from PubChem (CID 147230924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).