methyl (2R)-2-amino-2-bromopropanoate

C4H8BrNO2 — CID 87903437

IUPACmethyl (2R)-2-amino-2-bromopropanoate
SMILESCOC(=O)[C@](C)(N)Br
InChIInChI=1S/C4H8BrNO2/c1-4(5,6)3(7)8-2/h6H2,1-2H3/t4-/m0/s1
InChIKeyWWGIDDRDBBNIBC-BYPYZUCNSA-N
MW182.02 g/mol
LogP0.23
Rot. Bonds1

About methyl (2R)-2-amino-2-bromopropanoate

methyl (2R)-2-amino-2-bromopropanoate (PubChem CID 87903437) has the molecular formula C4H8BrNO2 and a molecular weight of 182.02 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-bromopropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-bromopropanoate
PubChem CID87903437
Molecular FormulaC4H8BrNO2
Molecular Weight182.02 g/mol
Exact Mass180.97
IUPAC Namemethyl (2R)-2-amino-2-bromopropanoate
SMILESCOC(=O)[C@](C)(N)Br
InChIInChI=1S/C4H8BrNO2/c1-4(5,6)3(7)8-2/h6H2,1-2H3/t4-/m0/s1
InChIKeyWWGIDDRDBBNIBC-BYPYZUCNSA-N
XLogP0.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.02
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-bromopropanoate?
The IUPAC name of methyl (2R)-2-amino-2-bromopropanoate (CID 87903437) is methyl (2R)-2-amino-2-bromopropanoate.
What is the SMILES notation for methyl (2R)-2-amino-2-bromopropanoate?
The canonical SMILES for methyl (2R)-2-amino-2-bromopropanoate is COC(=O)[C@](C)(N)Br.
What is the InChIKey of methyl (2R)-2-amino-2-bromopropanoate?
The InChIKey is WWGIDDRDBBNIBC-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8BrNO2/c1-4(5,6)3(7)8-2/h6H2,1-2H3/t4-/m0/s1.
What are the key properties of methyl (2R)-2-amino-2-bromopropanoate?
methyl (2R)-2-amino-2-bromopropanoate has a molecular weight of 182.02 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-bromopropanoate is sourced from PubChem (CID 87903437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).