(2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid

C9H7Br3O2 — CID 95858564

IUPAC(2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid
SMILESO=C(O)[C@H](Br)[C@H](Br)c1ccccc1Br
InChIInChI=1S/C9H7Br3O2/c10-6-4-2-1-3-5(6)7(11)8(12)9(13)14/h1-4,7-8H,(H,13,14)/t7-,8-/m1/s1
InChIKeyIOATZQRJTIURPY-HTQZYQBOSA-N
MW386.87 g/mol
LogP3.73
Rot. Bonds3

About (2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid

(2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid (PubChem CID 95858564) has the molecular formula C9H7Br3O2 and a molecular weight of 386.87 g/mol. Its IUPAC name is (2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid.

Molecular Properties

Compound Name(2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid
PubChem CID95858564
Molecular FormulaC9H7Br3O2
Molecular Weight386.87 g/mol
Exact Mass383.80
IUPAC Name(2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid
SMILESO=C(O)[C@H](Br)[C@H](Br)c1ccccc1Br
InChIInChI=1S/C9H7Br3O2/c10-6-4-2-1-3-5(6)7(11)8(12)9(13)14/h1-4,7-8H,(H,13,14)/t7-,8-/m1/s1
InChIKeyIOATZQRJTIURPY-HTQZYQBOSA-N
XLogP3.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.87
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dibromo-3-(2-bromophenyl)propanoic acid
CID 5127524
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid
CID 84812531
2-[(2-bromophenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 62398436
3-(2-bromophenyl)-3-cyanopropanoic acid
CID 82298706
2-(2-bromophenyl)-2-cycloheptylacetic acid
CID 82929403
2-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]-3-methylbutanamide
CID 81383036
2-(3-bromo-2-fluorophenyl)propanoic acid
CID 83723745
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 104565058
3,5-bis(2-bromophenyl)-2,6-dimethylheptan-4-one
CID 141224766
1-amino-1-(2-bromophenyl)propan-2-one
CID 116859743
2-bromo-3-phenylbutanedioic acid
CID 18967008

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid?
The IUPAC name of (2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid (CID 95858564) is (2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid.
What is the SMILES notation for (2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid?
The canonical SMILES for (2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid is O=C(O)[C@H](Br)[C@H](Br)c1ccccc1Br.
What is the InChIKey of (2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid?
The InChIKey is IOATZQRJTIURPY-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H7Br3O2/c10-6-4-2-1-3-5(6)7(11)8(12)9(13)14/h1-4,7-8H,(H,13,14)/t7-,8-/m1/s1.
What are the key properties of (2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid?
(2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid has a molecular weight of 386.87 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid is sourced from PubChem (CID 95858564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).