3-[1-(2-methoxyphenyl)propylamino]propanoic acid

C13H19NO3 — CID 43774787

IUPAC3-[1-(2-methoxyphenyl)propylamino]propanoic acid
SMILESCCC(NCCC(=O)O)c1ccccc1OC
InChIInChI=1S/C13H19NO3/c1-3-11(14-9-8-13(15)16)10-6-4-5-7-12(10)17-2/h4-7,11,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyURQMWZAWUOXZPK-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.21
Rot. Bonds7

About 3-[1-(2-methoxyphenyl)propylamino]propanoic acid

3-[1-(2-methoxyphenyl)propylamino]propanoic acid (PubChem CID 43774787) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[1-(2-methoxyphenyl)propylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methoxyphenyl)propylamino]propanoic acid
PubChem CID43774787
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[1-(2-methoxyphenyl)propylamino]propanoic acid
SMILESCCC(NCCC(=O)O)c1ccccc1OC
InChIInChI=1S/C13H19NO3/c1-3-11(14-9-8-13(15)16)10-6-4-5-7-12(10)17-2/h4-7,11,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyURQMWZAWUOXZPK-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid
CID 43709145
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240
4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
CID 112517908
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43770870
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine
CID 115324466
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894124
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyphenyl)propylamino]propanoic acid?
The IUPAC name of 3-[1-(2-methoxyphenyl)propylamino]propanoic acid (CID 43774787) is 3-[1-(2-methoxyphenyl)propylamino]propanoic acid.
What is the SMILES notation for 3-[1-(2-methoxyphenyl)propylamino]propanoic acid?
The canonical SMILES for 3-[1-(2-methoxyphenyl)propylamino]propanoic acid is CCC(NCCC(=O)O)c1ccccc1OC.
What is the InChIKey of 3-[1-(2-methoxyphenyl)propylamino]propanoic acid?
The InChIKey is URQMWZAWUOXZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-11(14-9-8-13(15)16)10-6-4-5-7-12(10)17-2/h4-7,11,14H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[1-(2-methoxyphenyl)propylamino]propanoic acid?
3-[1-(2-methoxyphenyl)propylamino]propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyphenyl)propylamino]propanoic acid is sourced from PubChem (CID 43774787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).