(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid

C8H7FINO2 — CID 66513291

IUPAC(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(I)cc1F
InChIInChI=1S/C8H7FINO2/c9-6-3-4(10)1-2-5(6)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)/t7-/m0/s1
InChIKeyZJVCNVULFFVMGP-ZETCQYMHSA-N
MW295.05 g/mol
LogP1.51
Rot. Bonds2

About (2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid

(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid (PubChem CID 66513291) has the molecular formula C8H7FINO2 and a molecular weight of 295.05 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid
PubChem CID66513291
Molecular FormulaC8H7FINO2
Molecular Weight295.05 g/mol
Exact Mass294.95
IUPAC Name(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(I)cc1F
InChIInChI=1S/C8H7FINO2/c9-6-3-4(10)1-2-5(6)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)/t7-/m0/s1
InChIKeyZJVCNVULFFVMGP-ZETCQYMHSA-N
XLogP1.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.05
LogP ≤ 51.51
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-2-(4-amino-2-fluorophenyl)acetic acid
CID 77128000
(2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid
CID 130632401
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid
CID 130605598
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537
(1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine
CID 130737703
(1R)-2,2,2-trifluoro-1-(2-fluoro-4-iodophenyl)ethanamine
CID 66512608
sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
CID 173282392
(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
CID 130612428
(2S)-2-amino-2-(2-chloro-4-fluorophenyl)acetic acid
CID 66510702
2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
CID 67151724
2-amino-2-(3-bromo-4-fluoro-2-methylphenyl)acetic acid
CID 84806894
2-[(1S)-1-amino-2-hydroxyethyl]-5-iodobenzoic acid
CID 66516246

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid (CID 66513291) is (2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid is N[C@H](C(=O)O)c1ccc(I)cc1F.
What is the InChIKey of (2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid?
The InChIKey is ZJVCNVULFFVMGP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7FINO2/c9-6-3-4(10)1-2-5(6)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid?
(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid has a molecular weight of 295.05 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid is sourced from PubChem (CID 66513291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).