(2S)-2-bromobutanamide

C4H8BrNO — CID 51414846

IUPAC(2S)-2-bromobutanamide
SMILESCC[C@H](Br)C(N)=O
InChIInChI=1S/C4H8BrNO/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H2,6,7)/t3-/m0/s1
InChIKeyAKSLRYGHJVUELA-VKHMYHEASA-N
MW166.02 g/mol
LogP0.65
Rot. Bonds2

About (2S)-2-bromobutanamide

(2S)-2-bromobutanamide (PubChem CID 51414846) has the molecular formula C4H8BrNO and a molecular weight of 166.02 g/mol. Its IUPAC name is (2S)-2-bromobutanamide.

Molecular Properties

Compound Name(2S)-2-bromobutanamide
PubChem CID51414846
Molecular FormulaC4H8BrNO
Molecular Weight166.02 g/mol
Exact Mass164.98
IUPAC Name(2S)-2-bromobutanamide
SMILESCC[C@H](Br)C(N)=O
InChIInChI=1S/C4H8BrNO/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H2,6,7)/t3-/m0/s1
InChIKeyAKSLRYGHJVUELA-VKHMYHEASA-N
XLogP0.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.02
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2S)-2-bromobutanamide?
The IUPAC name of (2S)-2-bromobutanamide (CID 51414846) is (2S)-2-bromobutanamide.
What is the SMILES notation for (2S)-2-bromobutanamide?
The canonical SMILES for (2S)-2-bromobutanamide is CC[C@H](Br)C(N)=O.
What is the InChIKey of (2S)-2-bromobutanamide?
The InChIKey is AKSLRYGHJVUELA-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8BrNO/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H2,6,7)/t3-/m0/s1.
What are the key properties of (2S)-2-bromobutanamide?
(2S)-2-bromobutanamide has a molecular weight of 166.02 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromobutanamide is sourced from PubChem (CID 51414846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).