3-(1-phenylethylamino)propanoic acid

C11H15NO2 — CID 2826777

IUPAC3-(1-phenylethylamino)propanoic acid
SMILESCC(NCCC(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(12-8-7-11(13)14)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,13,14)
InChIKeyQYOGWZCNJDREPR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.81
Rot. Bonds5

About 3-(1-phenylethylamino)propanoic acid

3-(1-phenylethylamino)propanoic acid (PubChem CID 2826777) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(1-phenylethylamino)propanoic acid.

Molecular Properties

Compound Name3-(1-phenylethylamino)propanoic acid
PubChem CID2826777
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(1-phenylethylamino)propanoic acid
SMILESCC(NCCC(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(12-8-7-11(13)14)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,13,14)
InChIKeyQYOGWZCNJDREPR-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propanoic acid
CID 81352269
3-[1-(4-fluorophenyl)ethylamino]propanoic acid
CID 43087255
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 81371134
N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020280
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
CID 4299373
3-[1-(4-pyridin-4-ylphenyl)ethylamino]propanoic acid
CID 139017053
3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethylamino)propanoic acid?
The IUPAC name of 3-(1-phenylethylamino)propanoic acid (CID 2826777) is 3-(1-phenylethylamino)propanoic acid.
What is the SMILES notation for 3-(1-phenylethylamino)propanoic acid?
The canonical SMILES for 3-(1-phenylethylamino)propanoic acid is CC(NCCC(=O)O)c1ccccc1.
What is the InChIKey of 3-(1-phenylethylamino)propanoic acid?
The InChIKey is QYOGWZCNJDREPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(12-8-7-11(13)14)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,13,14).
What are the key properties of 3-(1-phenylethylamino)propanoic acid?
3-(1-phenylethylamino)propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethylamino)propanoic acid is sourced from PubChem (CID 2826777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).