3-hydroxy-2-(1-phenylethylamino)propanoic acid

C11H15NO3 — CID 15922108

IUPAC3-hydroxy-2-(1-phenylethylamino)propanoic acid
SMILESCC(NC(CO)C(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-8(9-5-3-2-4-6-9)12-10(7-13)11(14)15/h2-6,8,10,12-13H,7H2,1H3,(H,14,15)
InChIKeyCDOOQEUSWNJWCC-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.78
Rot. Bonds5

About 3-hydroxy-2-(1-phenylethylamino)propanoic acid

3-hydroxy-2-(1-phenylethylamino)propanoic acid (PubChem CID 15922108) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-hydroxy-2-(1-phenylethylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(1-phenylethylamino)propanoic acid
PubChem CID15922108
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-hydroxy-2-(1-phenylethylamino)propanoic acid
SMILESCC(NC(CO)C(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-8(9-5-3-2-4-6-9)12-10(7-13)11(14)15/h2-6,8,10,12-13H,7H2,1H3,(H,14,15)
InChIKeyCDOOQEUSWNJWCC-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

(2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid
CID 71360379
(2S)-3-hydroxy-2-(1-phenylethylcarbamoylamino)propanoic acid
CID 61189105
(2S)-4-fluoro-4-methyl-2-[[(1S)-1-phenylethyl]amino]pentanoic acid
CID 163478461
2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
2-(1-phenylethylamino)butanamide
CID 62899453
4-(4-fluorophenyl)-4-oxo-2-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 70692011
(2S,3S)-2-methyl-3-(1-phenylethylamino)butanoic acid
CID 70280028
4-(2-chlorophenyl)-3,3-dideuterio-4-oxo-2-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 70687826
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
(2R)-2-anilino-3-hydroxypropanoic acid
CID 68662369
3-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63868252
(2S,3R)-3-(1-phenylethylamino)butane-1,2,4-triol
CID 70991072

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(1-phenylethylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(1-phenylethylamino)propanoic acid (CID 15922108) is 3-hydroxy-2-(1-phenylethylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(1-phenylethylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(1-phenylethylamino)propanoic acid is CC(NC(CO)C(=O)O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2-(1-phenylethylamino)propanoic acid?
The InChIKey is CDOOQEUSWNJWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(9-5-3-2-4-6-9)12-10(7-13)11(14)15/h2-6,8,10,12-13H,7H2,1H3,(H,14,15).
What are the key properties of 3-hydroxy-2-(1-phenylethylamino)propanoic acid?
3-hydroxy-2-(1-phenylethylamino)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 3-hydroxy-2-(1-phenylethylamino)propanoic acid is sourced from PubChem (CID 15922108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).