2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid

C11H15NO3 — CID 60885846

IUPAC2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
SMILESCC(NCC(O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8(11(14)15)12-7-10(13)9-5-3-2-4-6-9/h2-6,8,10,12-13H,7H2,1H3,(H,14,15)
InChIKeyIBXOFBAXSOVDJW-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.78
Rot. Bonds5

About 2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid

2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid (PubChem CID 60885846) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
PubChem CID60885846
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
SMILESCC(NCC(O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8(11(14)15)12-7-10(13)9-5-3-2-4-6-9/h2-6,8,10,12-13H,7H2,1H3,(H,14,15)
InChIKeyIBXOFBAXSOVDJW-UHFFFAOYSA-N
XLogP0.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82313061
(2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid
CID 70585968
2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442
N-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]-N-methylpropanamide
CID 103108745
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
(2S)-2-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 131723865
2-(3-methylbutan-2-ylamino)-1-phenylethanol
CID 12904820
2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82314338
2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 54089481
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
2-[bis(trimethylsilyl)methylamino]-1-phenylethanol
CID 15425393

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid?
The IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid (CID 60885846) is 2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid is CC(NCC(O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid?
The InChIKey is IBXOFBAXSOVDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(11(14)15)12-7-10(13)9-5-3-2-4-6-9/h2-6,8,10,12-13H,7H2,1H3,(H,14,15).
What are the key properties of 2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid?
2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid is sourced from PubChem (CID 60885846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).