(2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid

C5H7BrO3 — CID 156876144

IUPAC(2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid
SMILESC=C[C@](O)(CBr)C(=O)O
InChIInChI=1S/C5H7BrO3/c1-2-5(9,3-6)4(7)8/h2,9H,1,3H2,(H,7,8)/t5-/m0/s1
InChIKeyAOPFHKAAKJGEAE-YFKPBYRVSA-N
MW195.01 g/mol
LogP0.38
Rot. Bonds3

About (2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid

(2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid (PubChem CID 156876144) has the molecular formula C5H7BrO3 and a molecular weight of 195.01 g/mol. Its IUPAC name is (2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid.

Molecular Properties

Compound Name(2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid
PubChem CID156876144
Molecular FormulaC5H7BrO3
Molecular Weight195.01 g/mol
Exact Mass193.96
IUPAC Name(2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid
SMILESC=C[C@](O)(CBr)C(=O)O
InChIInChI=1S/C5H7BrO3/c1-2-5(9,3-6)4(7)8/h2,9H,1,3H2,(H,7,8)/t5-/m0/s1
InChIKeyAOPFHKAAKJGEAE-YFKPBYRVSA-N
XLogP0.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.01
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-ethenylpropanedioic acid
CID 87926855
1-bromo-2-methylbut-3-en-2-ol
CID 551234
(2S)-2-hydroxy-2-methylbut-3-enoic acid
CID 11205735
2-bromo-2-ethylbut-3-enoic acid
CID 154305040
2-amino-2-ethenylpropanedioic acid
CID 55285950
2-ethenyl-2-methylbut-3-enoic acid
CID 54134435
3-chloro-2-ethenyl-2-hydroxybut-3-enoic acid
CID 146319231
1-bromo-3-hydroxy-3-prop-2-enylhex-5-en-2-one
CID 23007858
but-3-ene-1,1,1-tricarboxylic acid
CID 59237686
2-amino-2-(sulfanylmethyl)but-3-enoic acid
CID 175037122
bis(propane-1,1,1-triol);tris(prop-2-enoic acid)
CID 160840760
2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid
CID 88654397

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid?
The IUPAC name of (2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid (CID 156876144) is (2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid.
What is the SMILES notation for (2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid?
The canonical SMILES for (2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid is C=C[C@](O)(CBr)C(=O)O.
What is the InChIKey of (2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid?
The InChIKey is AOPFHKAAKJGEAE-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H7BrO3/c1-2-5(9,3-6)4(7)8/h2,9H,1,3H2,(H,7,8)/t5-/m0/s1.
What are the key properties of (2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid?
(2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid has a molecular weight of 195.01 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid is sourced from PubChem (CID 156876144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).