(2R)-2-amino-3-(4-bromophenyl)propanoyl iodide

C9H9BrINO — CID 90069243

IUPAC(2R)-2-amino-3-(4-bromophenyl)propanoyl iodide
SMILESN[C@H](Cc1ccc(Br)cc1)C(=O)I
InChIInChI=1S/C9H9BrINO/c10-7-3-1-6(2-4-7)5-8(12)9(11)13/h1-4,8H,5,12H2/t8-/m1/s1
InChIKeyMBRVTCMGYPSYBI-MRVPVSSYSA-N
MW353.99 g/mol
LogP2.28
Rot. Bonds3

About (2R)-2-amino-3-(4-bromophenyl)propanoyl iodide

(2R)-2-amino-3-(4-bromophenyl)propanoyl iodide (PubChem CID 90069243) has the molecular formula C9H9BrINO and a molecular weight of 353.99 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-bromophenyl)propanoyl iodide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-bromophenyl)propanoyl iodide
PubChem CID90069243
Molecular FormulaC9H9BrINO
Molecular Weight353.99 g/mol
Exact Mass352.89
IUPAC Name(2R)-2-amino-3-(4-bromophenyl)propanoyl iodide
SMILESN[C@H](Cc1ccc(Br)cc1)C(=O)I
InChIInChI=1S/C9H9BrINO/c10-7-3-1-6(2-4-7)5-8(12)9(11)13/h1-4,8H,5,12H2/t8-/m1/s1
InChIKeyMBRVTCMGYPSYBI-MRVPVSSYSA-N
XLogP2.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.99
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(4-bromophenyl)pentan-3-one
CID 77428237
4-(4-bromophenyl)but-1-ene-2,3-diamine
CID 139569108
2-amino-3-(4-bromophenyl)propanoic acid;2-amino-3-(4-ethylphenyl)propanoic acid;ethane
CID 145152380
5-(4-bromophenyl)-4-methylpentan-2-one
CID 64718506
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
(2S)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]butanamide
CID 79024112
ethyl (3R)-3-amino-4-(4-bromophenyl)butanoate
CID 59607859
ethyl (2S)-3-(4-bromophenyl)-2-methylpropanoate
CID 129395857
diethyl 2-[(4-bromophenyl)methyl]propanedioate
CID 10860456
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
methyl 3-(4-bromophenyl)-2-(propan-2-ylamino)propanoate
CID 140629616
[2-amino-3-(4-bromophenyl)propyl] propanoate
CID 151801688

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-bromophenyl)propanoyl iodide?
The IUPAC name of (2R)-2-amino-3-(4-bromophenyl)propanoyl iodide (CID 90069243) is (2R)-2-amino-3-(4-bromophenyl)propanoyl iodide.
What is the SMILES notation for (2R)-2-amino-3-(4-bromophenyl)propanoyl iodide?
The canonical SMILES for (2R)-2-amino-3-(4-bromophenyl)propanoyl iodide is N[C@H](Cc1ccc(Br)cc1)C(=O)I.
What is the InChIKey of (2R)-2-amino-3-(4-bromophenyl)propanoyl iodide?
The InChIKey is MBRVTCMGYPSYBI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9BrINO/c10-7-3-1-6(2-4-7)5-8(12)9(11)13/h1-4,8H,5,12H2/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-bromophenyl)propanoyl iodide?
(2R)-2-amino-3-(4-bromophenyl)propanoyl iodide has a molecular weight of 353.99 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-bromophenyl)propanoyl iodide is sourced from PubChem (CID 90069243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).