(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid

C9H10INO2 — CID 10447189

IUPAC(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
SMILESN[C@H](Cc1ccccc1[131I])C(=O)O
InChIInChI=1S/C9H10INO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1/i10+4
InChIKeyBKXVGLPBXYBDDM-OQLFZOGVSA-N
MW295.09 g/mol
LogP1.25
Rot. Bonds3

About (2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid

(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid (PubChem CID 10447189) has the molecular formula C9H10INO2 and a molecular weight of 295.09 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
PubChem CID10447189
Molecular FormulaC9H10INO2
Molecular Weight295.09 g/mol
Exact Mass294.98
IUPAC Name(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
SMILESN[C@H](Cc1ccccc1[131I])C(=O)O
InChIInChI=1S/C9H10INO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1/i10+4
InChIKeyBKXVGLPBXYBDDM-OQLFZOGVSA-N
XLogP1.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 51.25
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

(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride
CID 70054981
(2R)-2-amino-3-(2-boronophenyl)propanoic acid
CID 131503499
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid
CID 141451014
(2S)-2-amino-3-[2-(deuteriomethyl)phenyl]propanoic acid
CID 123633145
2-amino-3-(2-methylsulfonylphenyl)propanoic acid
CID 117359904
2-amino-3-phenylpropanoic acid;azane
CID 174393642

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid (CID 10447189) is (2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid is N[C@H](Cc1ccccc1[131I])C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid?
The InChIKey is BKXVGLPBXYBDDM-OQLFZOGVSA-N. The full InChI is InChI=1S/C9H10INO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1/i10+4.
What are the key properties of (2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid?
(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid has a molecular weight of 295.09 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid is sourced from PubChem (CID 10447189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).