3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid

C10H13NO3 — CID 519723

IUPAC3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
SMILESCNC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)
InChIKeyAXDLCFOOGCNDST-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.61
Rot. Bonds4

About 3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid

3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid (PubChem CID 519723) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
PubChem CID519723
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
SMILESCNC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)
InChIKeyAXDLCFOOGCNDST-UHFFFAOYSA-N
XLogP0.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid (CID 519723) is 3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid is CNC(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid?
The InChIKey is AXDLCFOOGCNDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14).
What are the key properties of 3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid?
3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid is sourced from PubChem (CID 519723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).