(2S)-2-formamidopropanoyl bromide

C4H6BrNO2 — CID 139696812

IUPAC(2S)-2-formamidopropanoyl bromide
SMILESC[C@H](NC=O)C(=O)Br
InChIInChI=1S/C4H6BrNO2/c1-3(4(5)8)6-2-7/h2-3H,1H3,(H,6,7)/t3-/m0/s1
InChIKeyUDBFSQUMPCIUBF-VKHMYHEASA-N
MW180.00 g/mol
LogP0.04
Rot. Bonds3

About (2S)-2-formamidopropanoyl bromide

(2S)-2-formamidopropanoyl bromide (PubChem CID 139696812) has the molecular formula C4H6BrNO2 and a molecular weight of 180.00 g/mol. Its IUPAC name is (2S)-2-formamidopropanoyl bromide.

Molecular Properties

Compound Name(2S)-2-formamidopropanoyl bromide
PubChem CID139696812
Molecular FormulaC4H6BrNO2
Molecular Weight180.00 g/mol
Exact Mass178.96
IUPAC Name(2S)-2-formamidopropanoyl bromide
SMILESC[C@H](NC=O)C(=O)Br
InChIInChI=1S/C4H6BrNO2/c1-3(4(5)8)6-2-7/h2-3H,1H3,(H,6,7)/t3-/m0/s1
InChIKeyUDBFSQUMPCIUBF-VKHMYHEASA-N
XLogP0.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.00
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-formamidopropanoyl bromide?
The IUPAC name of (2S)-2-formamidopropanoyl bromide (CID 139696812) is (2S)-2-formamidopropanoyl bromide.
What is the SMILES notation for (2S)-2-formamidopropanoyl bromide?
The canonical SMILES for (2S)-2-formamidopropanoyl bromide is C[C@H](NC=O)C(=O)Br.
What is the InChIKey of (2S)-2-formamidopropanoyl bromide?
The InChIKey is UDBFSQUMPCIUBF-VKHMYHEASA-N. The full InChI is InChI=1S/C4H6BrNO2/c1-3(4(5)8)6-2-7/h2-3H,1H3,(H,6,7)/t3-/m0/s1.
What are the key properties of (2S)-2-formamidopropanoyl bromide?
(2S)-2-formamidopropanoyl bromide has a molecular weight of 180.00 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-formamidopropanoyl bromide is sourced from PubChem (CID 139696812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).