N-[(2R,3R)-3-bromobutan-2-yl]acetamide

C6H12BrNO — CID 130631438

IUPACN-[(2R,3R)-3-bromobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)[C@@H](C)Br
InChIInChI=1S/C6H12BrNO/c1-4(7)5(2)8-6(3)9/h4-5H,1-3H3,(H,8,9)/t4-,5-/m1/s1
InChIKeyAMUFZZOETRAEBD-RFZPGFLSSA-N
MW194.07 g/mol
LogP1.29
Rot. Bonds2

About N-[(2R,3R)-3-bromobutan-2-yl]acetamide

N-[(2R,3R)-3-bromobutan-2-yl]acetamide (PubChem CID 130631438) has the molecular formula C6H12BrNO and a molecular weight of 194.07 g/mol. Its IUPAC name is N-[(2R,3R)-3-bromobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R)-3-bromobutan-2-yl]acetamide
PubChem CID130631438
Molecular FormulaC6H12BrNO
Molecular Weight194.07 g/mol
Exact Mass193.01
IUPAC NameN-[(2R,3R)-3-bromobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)[C@@H](C)Br
InChIInChI=1S/C6H12BrNO/c1-4(7)5(2)8-6(3)9/h4-5H,1-3H3,(H,8,9)/t4-,5-/m1/s1
InChIKeyAMUFZZOETRAEBD-RFZPGFLSSA-N
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2R,3R)-3-bromobutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-3-aminobutan-2-yl]acetamide
CID 58714923
(2S)-3-acetamido-2-methylbutanoic acid
CID 87205249
N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
CID 55301756
N-(1-fluoroethyl)acetamide
CID 123354067
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
N-(4-bromobutan-2-yl)acetamide
CID 83179388
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
N-[1-(methylamino)ethyl]acetamide
CID 87728985
N-[1-(hydroxyamino)ethyl]acetamide;molecular hydrogen
CID 142966371
N-(3-methyl-1-sulfanylbutan-2-yl)acetamide
CID 130023779
3-acetamido-4-methylpentanoic acid
CID 22460001
5-acetamido-4-hydroxyhexanoic acid
CID 45119565

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-3-bromobutan-2-yl]acetamide?
The IUPAC name of N-[(2R,3R)-3-bromobutan-2-yl]acetamide (CID 130631438) is N-[(2R,3R)-3-bromobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2R,3R)-3-bromobutan-2-yl]acetamide?
The canonical SMILES for N-[(2R,3R)-3-bromobutan-2-yl]acetamide is CC(=O)N[C@H](C)[C@@H](C)Br.
What is the InChIKey of N-[(2R,3R)-3-bromobutan-2-yl]acetamide?
The InChIKey is AMUFZZOETRAEBD-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H12BrNO/c1-4(7)5(2)8-6(3)9/h4-5H,1-3H3,(H,8,9)/t4-,5-/m1/s1.
What are the key properties of N-[(2R,3R)-3-bromobutan-2-yl]acetamide?
N-[(2R,3R)-3-bromobutan-2-yl]acetamide has a molecular weight of 194.07 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-3-bromobutan-2-yl]acetamide is sourced from PubChem (CID 130631438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).