3-[1-(2-methylphenyl)ethylamino]propanoic acid

C12H17NO2 — CID 43087225

IUPAC3-[1-(2-methylphenyl)ethylamino]propanoic acid
SMILESCc1ccccc1C(C)NCCC(=O)O
InChIInChI=1S/C12H17NO2/c1-9-5-3-4-6-11(9)10(2)13-8-7-12(14)15/h3-6,10,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyGIBKKXSQZPWYRE-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.12
Rot. Bonds5

About 3-[1-(2-methylphenyl)ethylamino]propanoic acid

3-[1-(2-methylphenyl)ethylamino]propanoic acid (PubChem CID 43087225) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-[1-(2-methylphenyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methylphenyl)ethylamino]propanoic acid
PubChem CID43087225
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-[1-(2-methylphenyl)ethylamino]propanoic acid
SMILESCc1ccccc1C(C)NCCC(=O)O
InChIInChI=1S/C12H17NO2/c1-9-5-3-4-6-11(9)10(2)13-8-7-12(14)15/h3-6,10,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyGIBKKXSQZPWYRE-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-fluorophenyl)ethylamino]propanoic acid
CID 43087232
3-(1-phenylethylamino)propanoic acid
CID 2826777
3-[[cyano-(2-methylphenyl)methyl]amino]propanoic acid
CID 84817498
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 96784262
1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea
CID 83116277
3-[3-(2-methylphenyl)butanoylamino]propanoic acid
CID 119177010
4-[[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]butanoic acid
CID 43473634
2-amino-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid
CID 103258125
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
3-[methyl-[1-[1-(2-methylphenyl)ethylamino]-1-oxopropan-2-yl]amino]propanoic acid
CID 119911517
3,3-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 81375562

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylphenyl)ethylamino]propanoic acid?
The IUPAC name of 3-[1-(2-methylphenyl)ethylamino]propanoic acid (CID 43087225) is 3-[1-(2-methylphenyl)ethylamino]propanoic acid.
What is the SMILES notation for 3-[1-(2-methylphenyl)ethylamino]propanoic acid?
The canonical SMILES for 3-[1-(2-methylphenyl)ethylamino]propanoic acid is Cc1ccccc1C(C)NCCC(=O)O.
What is the InChIKey of 3-[1-(2-methylphenyl)ethylamino]propanoic acid?
The InChIKey is GIBKKXSQZPWYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-5-3-4-6-11(9)10(2)13-8-7-12(14)15/h3-6,10,13H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[1-(2-methylphenyl)ethylamino]propanoic acid?
3-[1-(2-methylphenyl)ethylamino]propanoic acid has a molecular weight of 207.27 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylphenyl)ethylamino]propanoic acid is sourced from PubChem (CID 43087225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).