2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid

C9H9FN2O5 — CID 117361826

IUPAC2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid
SMILESNC(Cc1cc([N+](=O)[O-])cc(F)c1O)C(=O)O
InChIInChI=1S/C9H9FN2O5/c10-6-3-5(12(16)17)1-4(8(6)13)2-7(11)9(14)15/h1,3,7,13H,2,11H2,(H,14,15)
InChIKeyUVEWVOLEJQZDHX-UHFFFAOYSA-N
MW244.18 g/mol
LogP0.39
Rot. Bonds4

About 2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid

2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid (PubChem CID 117361826) has the molecular formula C9H9FN2O5 and a molecular weight of 244.18 g/mol. Its IUPAC name is 2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid
PubChem CID117361826
Molecular FormulaC9H9FN2O5
Molecular Weight244.18 g/mol
Exact Mass244.05
IUPAC Name2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid
SMILESNC(Cc1cc([N+](=O)[O-])cc(F)c1O)C(=O)O
InChIInChI=1S/C9H9FN2O5/c10-6-3-5(12(16)17)1-4(8(6)13)2-7(11)9(14)15/h1,3,7,13H,2,11H2,(H,14,15)
InChIKeyUVEWVOLEJQZDHX-UHFFFAOYSA-N
XLogP0.39
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-(3-fluoro-2-hydroxy-5-nitrophenyl)butan-2-one
CID 174749401
(2S)-2-amino-3-(2-iodo-4-nitrophenyl)propanoic acid
CID 54574280
2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol
CID 66517594
2-(1-aminoethyl)-6-fluoro-4-nitrophenol
CID 117289050
2-fluoro-6-iodo-4-nitrophenol
CID 104506154
2-amino-3-(3,4-dihydroxy-5-nitrophenyl)propanoic acid
CID 19389246
2-[(1S)-1-aminopropyl]-6-fluoro-4-nitrophenol
CID 131529653
(2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid
CID 134160007
(2S)-2-amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid;hydrate
CID 66764594
2-amino-3-(5-nitro-2-pyrrolidin-1-ylphenyl)propanoic acid
CID 170879305
(2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid
CID 103852447
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid (CID 117361826) is 2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid is NC(Cc1cc([N+](=O)[O-])cc(F)c1O)C(=O)O.
What is the InChIKey of 2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid?
The InChIKey is UVEWVOLEJQZDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O5/c10-6-3-5(12(16)17)1-4(8(6)13)2-7(11)9(14)15/h1,3,7,13H,2,11H2,(H,14,15).
What are the key properties of 2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid?
2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid has a molecular weight of 244.18 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-fluoro-2-hydroxy-5-nitrophenyl)propanoic acid is sourced from PubChem (CID 117361826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).