(2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid

C11H14FNO2 — CID 71360379

IUPAC(2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid
SMILESCC(N[C@@H](CF)C(=O)O)c1ccccc1
InChIInChI=1S/C11H14FNO2/c1-8(9-5-3-2-4-6-9)13-10(7-12)11(14)15/h2-6,8,10,13H,7H2,1H3,(H,14,15)/t8?,10-/m0/s1
InChIKeyFXPGGXQVZDUHAZ-HTLJXXAVSA-N
MW211.24 g/mol
LogP1.76
Rot. Bonds5

About (2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid

(2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid (PubChem CID 71360379) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid
PubChem CID71360379
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid
SMILESCC(N[C@@H](CF)C(=O)O)c1ccccc1
InChIInChI=1S/C11H14FNO2/c1-8(9-5-3-2-4-6-9)13-10(7-12)11(14)15/h2-6,8,10,13H,7H2,1H3,(H,14,15)/t8?,10-/m0/s1
InChIKeyFXPGGXQVZDUHAZ-HTLJXXAVSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-(1-phenylethylamino)propanoic acid
CID 15922108
(2S)-4-fluoro-4-methyl-2-[[(1S)-1-phenylethyl]amino]pentanoic acid
CID 163478461
4-(4-fluorophenyl)-4-oxo-2-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 70692011
2-(1-phenylethylamino)butanamide
CID 62899453
2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
(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
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
3-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63868252
(2S)-4-(4-chloroanilino)-4-oxo-2-[[(1R)-1-phenylethyl]amino]butanoic acid
CID 7590961
(2R,4S)-4-hydroxy-4-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]butanoic acid
CID 101046831

Frequently Asked Questions

What is the IUPAC name of (2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid?
The IUPAC name of (2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid (CID 71360379) is (2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid.
What is the SMILES notation for (2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid?
The canonical SMILES for (2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid is CC(N[C@@H](CF)C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid?
The InChIKey is FXPGGXQVZDUHAZ-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(9-5-3-2-4-6-9)13-10(7-12)11(14)15/h2-6,8,10,13H,7H2,1H3,(H,14,15)/t8?,10-/m0/s1.
What are the key properties of (2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid?
(2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid has a molecular weight of 211.24 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid is sourced from PubChem (CID 71360379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).