2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide

C10H19BrN2O2 — CID 7017932

IUPAC2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide
SMILESCC1(C)C[C@H](NC(=O)CBr)C(C)(C)N1O
InChIInChI=1S/C10H19BrN2O2/c1-9(2)5-7(12-8(14)6-11)10(3,4)13(9)15/h7,15H,5-6H2,1-4H3,(H,12,14)/t7-/m0/s1
InChIKeyAIMGMMAHYBVXHU-ZETCQYMHSA-N
MW279.18 g/mol
LogP1.52
Rot. Bonds2

About 2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide

2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide (PubChem CID 7017932) has the molecular formula C10H19BrN2O2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide
PubChem CID7017932
Molecular FormulaC10H19BrN2O2
Molecular Weight279.18 g/mol
Exact Mass278.06
IUPAC Name2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide
SMILESCC1(C)C[C@H](NC(=O)CBr)C(C)(C)N1O
InChIInChI=1S/C10H19BrN2O2/c1-9(2)5-7(12-8(14)6-11)10(3,4)13(9)15/h7,15H,5-6H2,1-4H3,(H,12,14)/t7-/m0/s1
InChIKeyAIMGMMAHYBVXHU-ZETCQYMHSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)butanamide
CID 126614954
[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)amino]-2-oxoethoxy]methyl 4-methylbenzenesulfonate
CID 88970003
N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 173024529
(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
CID 854503
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole
CID 145262782
3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 91987853
1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-ol
CID 551669
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropanamide
CID 58178690
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide
CID 91692849
tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] ethene-1,1,2,2-tetracarboxylate
CID 138724239
7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895397

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide (CID 7017932) is 2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide is CC1(C)C[C@H](NC(=O)CBr)C(C)(C)N1O.
What is the InChIKey of 2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide?
The InChIKey is AIMGMMAHYBVXHU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19BrN2O2/c1-9(2)5-7(12-8(14)6-11)10(3,4)13(9)15/h7,15H,5-6H2,1-4H3,(H,12,14)/t7-/m0/s1.
What are the key properties of 2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide?
2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide has a molecular weight of 279.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 7017932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).