(2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid

C9H9FN2O4 — CID 103852447

IUPAC(2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid
SMILESN[C@H](Cc1cccc([N+](=O)[O-])c1F)C(=O)O
InChIInChI=1S/C9H9FN2O4/c10-8-5(4-6(11)9(13)14)2-1-3-7(8)12(15)16/h1-3,6H,4,11H2,(H,13,14)/t6-/m1/s1
InChIKeyDYQXEGMMCVPYSE-ZCFIWIBFSA-N
MW228.18 g/mol
LogP0.69
Rot. Bonds4

About (2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid

(2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid (PubChem CID 103852447) has the molecular formula C9H9FN2O4 and a molecular weight of 228.18 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid
PubChem CID103852447
Molecular FormulaC9H9FN2O4
Molecular Weight228.18 g/mol
Exact Mass228.05
IUPAC Name(2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid
SMILESN[C@H](Cc1cccc([N+](=O)[O-])c1F)C(=O)O
InChIInChI=1S/C9H9FN2O4/c10-8-5(4-6(11)9(13)14)2-1-3-7(8)12(15)16/h1-3,6H,4,11H2,(H,13,14)/t6-/m1/s1
InChIKeyDYQXEGMMCVPYSE-ZCFIWIBFSA-N
XLogP0.69
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2-fluoro-6-nitrophenyl)propanoic acid
CID 75993446
(2S)-2-amino-3-[2-(2-nitrophenyl)sulfanylphenyl]propanoic acid
CID 91873682
(2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid
CID 134160007
3-(2-fluoro-3-nitrophenyl)propanoic acid
CID 107350213
1-(4-bromophenyl)-3-(2-fluoro-3-nitrophenyl)propan-2-amine
CID 107353655
2-amino-3-(2-nitrophenyl)propanamide
CID 64990482
3-[(2-fluoro-3-nitrophenyl)methyl]pentan-2-ol
CID 107350511
3-[(2-fluoro-3-nitrophenyl)methylsulfonyl]-2-methylpropanoic acid
CID 107349553
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
CID 159928766
CID 159928766
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-(2-methyl-3-nitrophenyl)propanamide
CID 64990652

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid (CID 103852447) is (2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid is N[C@H](Cc1cccc([N+](=O)[O-])c1F)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid?
The InChIKey is DYQXEGMMCVPYSE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9FN2O4/c10-8-5(4-6(11)9(13)14)2-1-3-7(8)12(15)16/h1-3,6H,4,11H2,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid?
(2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid has a molecular weight of 228.18 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid is sourced from PubChem (CID 103852447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).