(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid

C9H10FNO3 — CID 40787336

IUPAC(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid
SMILESN[C@H](c1ccc(F)cc1)[C@@H](O)C(=O)O
InChIInChI=1S/C9H10FNO3/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)/t7-,8-/m1/s1
InChIKeyMGNTZYNDHDKPQD-HTQZYQBOSA-N
MW199.18 g/mol
LogP0.27
Rot. Bonds3

About (2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid

(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid (PubChem CID 40787336) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is (2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid
PubChem CID40787336
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid
SMILESN[C@H](c1ccc(F)cc1)[C@@H](O)C(=O)O
InChIInChI=1S/C9H10FNO3/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)/t7-,8-/m1/s1
InChIKeyMGNTZYNDHDKPQD-HTQZYQBOSA-N
XLogP0.27
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid
CID 11019837
4-[(1S,2R)-1-amino-2-carboxy-2-hydroxyethyl]benzoic acid
CID 70149736
(2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid
CID 67807121
3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid
CID 18431576
(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
CID 159519060
3-(4-fluorophenyl)-2-hydroxybutanoic acid
CID 66287776
1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 53420253
2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid
CID 77129028
(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 44629566
2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 142693429
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid?
The IUPAC name of (2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid (CID 40787336) is (2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for (2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid?
The canonical SMILES for (2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid is N[C@H](c1ccc(F)cc1)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid?
The InChIKey is MGNTZYNDHDKPQD-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid?
(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid has a molecular weight of 199.18 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 40787336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).