(2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid

C18H19F2NO5 — CID 158153122

IUPAC(2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid
SMILESN[C@H](Cc1cccc(F)c1)C(=O)O.O=C(O)[C@H](O)Cc1cccc(F)c1
InChIInChI=1S/C9H10FNO2.C9H9FO3/c2*10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13);1-4,8,11H,5H2,(H,12,13)/t2*8-/m11/s1
InChIKeyFVIZTTBEUYBNHK-NWKMIUOTSA-N
MW367.35 g/mol
LogP1.59
Rot. Bonds6

About (2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid

(2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid (PubChem CID 158153122) has the molecular formula C18H19F2NO5 and a molecular weight of 367.35 g/mol. Its IUPAC name is (2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid
PubChem CID158153122
Molecular FormulaC18H19F2NO5
Molecular Weight367.35 g/mol
Exact Mass367.12
IUPAC Name(2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid
SMILESN[C@H](Cc1cccc(F)c1)C(=O)O.O=C(O)[C@H](O)Cc1cccc(F)c1
InChIInChI=1S/C9H10FNO2.C9H9FO3/c2*10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13);1-4,8,11H,5H2,(H,12,13)/t2*8-/m11/s1
InChIKeyFVIZTTBEUYBNHK-NWKMIUOTSA-N
XLogP1.59
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3-fluorophenyl)propanoic acid;2,2,2-trifluoroacetic acid
CID 155543413
(2R)-2-amino-3-(3-fluorophenyl)propanamide
CID 102314592
(2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
CID 121320325
benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride
CID 90281947
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 135362369
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
disodium;2-[(3-fluorophenyl)methyl]propanedioic acid;hydride
CID 174597525
propan-2-yl (2S)-2-amino-3-(3-fluorophenyl)propanoate
CID 67419664
2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid
CID 146445500
(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid?
The IUPAC name of (2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid (CID 158153122) is (2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid is N[C@H](Cc1cccc(F)c1)C(=O)O.O=C(O)[C@H](O)Cc1cccc(F)c1.
What is the InChIKey of (2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid?
The InChIKey is FVIZTTBEUYBNHK-NWKMIUOTSA-N. The full InChI is InChI=1S/C9H10FNO2.C9H9FO3/c2*10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13);1-4,8,11H,5H2,(H,12,13)/t2*8-/m11/s1.
What are the key properties of (2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid?
(2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid has a molecular weight of 367.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 158153122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).