(2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid

C17H18FNO3 — CID 67704785

IUPAC(2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid
SMILESCCN[C@@](c1ccccc1)(c1ccc(F)cc1)[C@@H](O)C(=O)O
InChIInChI=1S/C17H18FNO3/c1-2-19-17(15(20)16(21)22,12-6-4-3-5-7-12)13-8-10-14(18)11-9-13/h3-11,15,19-20H,2H2,1H3,(H,21,22)/t15-,17-/m0/s1
InChIKeyILRQGJRZAPVZHA-RDJZCZTQSA-N
MW303.33 g/mol
LogP2.12
Rot. Bonds6

About (2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid

(2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid (PubChem CID 67704785) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is (2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid
PubChem CID67704785
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name(2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid
SMILESCCN[C@@](c1ccccc1)(c1ccc(F)cc1)[C@@H](O)C(=O)O
InChIInChI=1S/C17H18FNO3/c1-2-19-17(15(20)16(21)22,12-6-4-3-5-7-12)13-8-10-14(18)11-9-13/h3-11,15,19-20H,2H2,1H3,(H,21,22)/t15-,17-/m0/s1
InChIKeyILRQGJRZAPVZHA-RDJZCZTQSA-N
XLogP2.12
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid?
The IUPAC name of (2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid (CID 67704785) is (2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for (2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for (2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid is CCN[C@@](c1ccccc1)(c1ccc(F)cc1)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid?
The InChIKey is ILRQGJRZAPVZHA-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-2-19-17(15(20)16(21)22,12-6-4-3-5-7-12)13-8-10-14(18)11-9-13/h3-11,15,19-20H,2H2,1H3,(H,21,22)/t15-,17-/m0/s1.
What are the key properties of (2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid?
(2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid has a molecular weight of 303.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 67704785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).