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

C10H13NO3 — CID 117243248

IUPAC2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
SMILESCNCC(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C10H13NO3/c1-11-6-9(10(13)14)7-3-2-4-8(12)5-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)
InChIKeyYGCFELPCMNIZKK-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.78
Rot. Bonds4

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

2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid (PubChem CID 117243248) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
PubChem CID117243248
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
SMILESCNCC(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C10H13NO3/c1-11-6-9(10(13)14)7-3-2-4-8(12)5-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)
InChIKeyYGCFELPCMNIZKK-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid
CID 117243215
(Z)-but-2-enedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 68717826
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
[(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate
CID 171394362
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052
3-[(1R)-1-deuterio-1-hydroxy-2-(methylamino)ethyl]phenol
CID 59348047
3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid
CID 83955823
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955509
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
CID 70112963

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid?
The IUPAC name of 2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid (CID 117243248) is 2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid.
What is the SMILES notation for 2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid?
The canonical SMILES for 2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid is CNCC(C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid?
The InChIKey is YGCFELPCMNIZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-11-6-9(10(13)14)7-3-2-4-8(12)5-7/h2-5,9,11-12H,6H2,1H3,(H,13,14).
What are the key properties of 2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid?
2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid is sourced from PubChem (CID 117243248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).