2-amino-3-(5-iodo-2-methylphenyl)propanoic acid

C10H12INO2 — CID 130041752

IUPAC2-amino-3-(5-iodo-2-methylphenyl)propanoic acid
SMILESCc1ccc(I)cc1CC(N)C(=O)O
InChIInChI=1S/C10H12INO2/c1-6-2-3-8(11)4-7(6)5-9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)
InChIKeyLZZKZHLFOKVYEW-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.55
Rot. Bonds3

About 2-amino-3-(5-iodo-2-methylphenyl)propanoic acid

2-amino-3-(5-iodo-2-methylphenyl)propanoic acid (PubChem CID 130041752) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-amino-3-(5-iodo-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-iodo-2-methylphenyl)propanoic acid
PubChem CID130041752
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name2-amino-3-(5-iodo-2-methylphenyl)propanoic acid
SMILESCc1ccc(I)cc1CC(N)C(=O)O
InChIInChI=1S/C10H12INO2/c1-6-2-3-8(11)4-7(6)5-9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)
InChIKeyLZZKZHLFOKVYEW-UHFFFAOYSA-N
XLogP1.55
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.55
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

(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
CID 130612428
1-(5-iodo-2-methylphenyl)propan-2-amine
CID 130041396
2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid
CID 84781647
2-amino-3-(4,5-dihydroxy-2-methylphenyl)propanoic acid
CID 21295204
2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
CID 84791820
(2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid
CID 144937817
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
CID 142647558
(2S)-2-amino-3-[2-methyl-5-(2-methylpropylsulfamoyl)phenyl]propanoic acid
CID 177279905
(2S)-2-amino-3-[2-methyl-5-(phenylsulfamoyl)phenyl]propanoic acid;hydrochloride
CID 177279796
(2S)-2-amino-3-[5-(benzenesulfonamido)-2-methylphenyl]propanoic acid
CID 177279774
(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
CID 73011108

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-iodo-2-methylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(5-iodo-2-methylphenyl)propanoic acid (CID 130041752) is 2-amino-3-(5-iodo-2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-iodo-2-methylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-iodo-2-methylphenyl)propanoic acid is Cc1ccc(I)cc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(5-iodo-2-methylphenyl)propanoic acid?
The InChIKey is LZZKZHLFOKVYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-6-2-3-8(11)4-7(6)5-9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(5-iodo-2-methylphenyl)propanoic acid?
2-amino-3-(5-iodo-2-methylphenyl)propanoic acid has a molecular weight of 305.12 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-iodo-2-methylphenyl)propanoic acid is sourced from PubChem (CID 130041752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).