(2R)-3-bromo-2-hydroxy-2-methylpropanamide

C4H8BrNO2 — CID 88906751

IUPAC(2R)-3-bromo-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(CBr)C(N)=O
InChIInChI=1S/C4H8BrNO2/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H2,6,7)/t4-/m0/s1
InChIKeyNEIDNERNQZUIBV-BYPYZUCNSA-N
MW182.02 g/mol
LogP-0.38
Rot. Bonds2

About (2R)-3-bromo-2-hydroxy-2-methylpropanamide

(2R)-3-bromo-2-hydroxy-2-methylpropanamide (PubChem CID 88906751) has the molecular formula C4H8BrNO2 and a molecular weight of 182.02 g/mol. Its IUPAC name is (2R)-3-bromo-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-bromo-2-hydroxy-2-methylpropanamide
PubChem CID88906751
Molecular FormulaC4H8BrNO2
Molecular Weight182.02 g/mol
Exact Mass180.97
IUPAC Name(2R)-3-bromo-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(CBr)C(N)=O
InChIInChI=1S/C4H8BrNO2/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H2,6,7)/t4-/m0/s1
InChIKeyNEIDNERNQZUIBV-BYPYZUCNSA-N
XLogP-0.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.02
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-bromo-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-3-bromo-2-hydroxy-2-methylpropanamide (CID 88906751) is (2R)-3-bromo-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-3-bromo-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-3-bromo-2-hydroxy-2-methylpropanamide is C[C@](O)(CBr)C(N)=O.
What is the InChIKey of (2R)-3-bromo-2-hydroxy-2-methylpropanamide?
The InChIKey is NEIDNERNQZUIBV-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8BrNO2/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H2,6,7)/t4-/m0/s1.
What are the key properties of (2R)-3-bromo-2-hydroxy-2-methylpropanamide?
(2R)-3-bromo-2-hydroxy-2-methylpropanamide has a molecular weight of 182.02 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-bromo-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 88906751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).