(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid

C9H9FINO2 — CID 130612428

IUPAC(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
SMILESN[C@@H](Cc1cc(I)ccc1F)C(=O)O
InChIInChI=1S/C9H9FINO2/c10-7-2-1-6(11)3-5(7)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
InChIKeyMUNHFAOBDUZZAD-QMMMGPOBSA-N
MW309.08 g/mol
LogP1.38
Rot. Bonds3

About (2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid

(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid (PubChem CID 130612428) has the molecular formula C9H9FINO2 and a molecular weight of 309.08 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
PubChem CID130612428
Molecular FormulaC9H9FINO2
Molecular Weight309.08 g/mol
Exact Mass308.97
IUPAC Name(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
SMILESN[C@@H](Cc1cc(I)ccc1F)C(=O)O
InChIInChI=1S/C9H9FINO2/c10-7-2-1-6(11)3-5(7)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
InChIKeyMUNHFAOBDUZZAD-QMMMGPOBSA-N
XLogP1.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.08
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
2-amino-3-(5-iodo-2-methylphenyl)propanoic acid
CID 130041752
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
(2S)-2-amino-3-(2,4-difluoro-3-iodophenyl)propanoic acid
CID 90411427
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2S)-2-amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid;hydrate
CID 66764594
(2S)-2-amino-3-(2-amino-3-fluorophenyl)propanoic acid
CID 55270399
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid
CID 84781647
2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
CID 142647558
2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid
CID 84670465
2-amino-3-(2,5-difluoro-4-methylsulfanylphenyl)propanoic acid
CID 117370022

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid (CID 130612428) is (2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid is N[C@@H](Cc1cc(I)ccc1F)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid?
The InChIKey is MUNHFAOBDUZZAD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9FINO2/c10-7-2-1-6(11)3-5(7)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid?
(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid has a molecular weight of 309.08 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid is sourced from PubChem (CID 130612428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).