3-[4-(methylaminomethyl)phenyl]propanoic acid

C11H15NO2 — CID 138583919

IUPAC3-[4-(methylaminomethyl)phenyl]propanoic acid
SMILESCNCc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H15NO2/c1-12-8-10-4-2-9(3-5-10)6-7-11(13)14/h2-5,12H,6-8H2,1H3,(H,13,14)
InChIKeySZQFUWRYBOAZGI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.42
Rot. Bonds5

About 3-[4-(methylaminomethyl)phenyl]propanoic acid

3-[4-(methylaminomethyl)phenyl]propanoic acid (PubChem CID 138583919) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[4-(methylaminomethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(methylaminomethyl)phenyl]propanoic acid
PubChem CID138583919
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[4-(methylaminomethyl)phenyl]propanoic acid
SMILESCNCc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H15NO2/c1-12-8-10-4-2-9(3-5-10)6-7-11(13)14/h2-5,12H,6-8H2,1H3,(H,13,14)
InChIKeySZQFUWRYBOAZGI-UHFFFAOYSA-N
XLogP1.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(propylaminomethyl)phenyl]propanoic acid
CID 59131307
ethyl 3-[4-(methylaminomethyl)phenyl]propanoate
CID 164606778
3-[4-[2-(methylamino)ethoxy]phenyl]propanoic acid
CID 117095187
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
methane;4-(methylaminomethyl)benzoic acid
CID 159753139
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
3-(4-cyanophenyl)propanoic acid;ethane
CID 143422626
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 106910048
3-[4-[(cyclopropylamino)methyl]phenyl]propanoic acid;hydrochloride
CID 164606797
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylaminomethyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(methylaminomethyl)phenyl]propanoic acid (CID 138583919) is 3-[4-(methylaminomethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(methylaminomethyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(methylaminomethyl)phenyl]propanoic acid is CNCc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-(methylaminomethyl)phenyl]propanoic acid?
The InChIKey is SZQFUWRYBOAZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-8-10-4-2-9(3-5-10)6-7-11(13)14/h2-5,12H,6-8H2,1H3,(H,13,14).
What are the key properties of 3-[4-(methylaminomethyl)phenyl]propanoic acid?
3-[4-(methylaminomethyl)phenyl]propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylaminomethyl)phenyl]propanoic acid is sourced from PubChem (CID 138583919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).