(2R)-2-iodo-3-phenylpropanoic acid

C9H9IO2 — CID 98007642

IUPAC(2R)-2-iodo-3-phenylpropanoic acid
SMILESO=C(O)[C@H](I)Cc1ccccc1
InChIInChI=1S/C9H9IO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m1/s1
InChIKeyBLCYVCDKFJEFGV-MRVPVSSYSA-N
MW276.07 g/mol
LogP2.12
Rot. Bonds3

About (2R)-2-iodo-3-phenylpropanoic acid

(2R)-2-iodo-3-phenylpropanoic acid (PubChem CID 98007642) has the molecular formula C9H9IO2 and a molecular weight of 276.07 g/mol. Its IUPAC name is (2R)-2-iodo-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-iodo-3-phenylpropanoic acid
PubChem CID98007642
Molecular FormulaC9H9IO2
Molecular Weight276.07 g/mol
Exact Mass275.96
IUPAC Name(2R)-2-iodo-3-phenylpropanoic acid
SMILESO=C(O)[C@H](I)Cc1ccccc1
InChIInChI=1S/C9H9IO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m1/s1
InChIKeyBLCYVCDKFJEFGV-MRVPVSSYSA-N
XLogP2.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-iodo-3-phenylpropanethioic S-acid
CID 97303799
(2S)-3-phenyl-2-sulfanylpropanoic acid
CID 10154332
2-benzyl-3-iodobutanedioic acid
CID 18967028
2-benzyl-3-iodopropanoic acid
CID 1542
benzyl 3-amino-2-iodopropanoate
CID 57172604
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride
CID 173293862
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2R)-2-chloro-3-phenylpropanoic acid;hydrochloride
CID 87933101
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303

Frequently Asked Questions

What is the IUPAC name of (2R)-2-iodo-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-iodo-3-phenylpropanoic acid (CID 98007642) is (2R)-2-iodo-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-iodo-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-iodo-3-phenylpropanoic acid is O=C(O)[C@H](I)Cc1ccccc1.
What is the InChIKey of (2R)-2-iodo-3-phenylpropanoic acid?
The InChIKey is BLCYVCDKFJEFGV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9IO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-iodo-3-phenylpropanoic acid?
(2R)-2-iodo-3-phenylpropanoic acid has a molecular weight of 276.07 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-iodo-3-phenylpropanoic acid is sourced from PubChem (CID 98007642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).