methyl (2R)-2-[(2-bromoacetyl)amino]propanoate

C6H10BrNO3 — CID 15674446

IUPACmethyl (2R)-2-[(2-bromoacetyl)amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)CBr
InChIInChI=1S/C6H10BrNO3/c1-4(6(10)11-2)8-5(9)3-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
InChIKeyBASISBBJBUGNEY-SCSAIBSYSA-N
MW224.05 g/mol
LogP0.06
Rot. Bonds3

About methyl (2R)-2-[(2-bromoacetyl)amino]propanoate

methyl (2R)-2-[(2-bromoacetyl)amino]propanoate (PubChem CID 15674446) has the molecular formula C6H10BrNO3 and a molecular weight of 224.05 g/mol. Its IUPAC name is methyl (2R)-2-[(2-bromoacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-bromoacetyl)amino]propanoate
PubChem CID15674446
Molecular FormulaC6H10BrNO3
Molecular Weight224.05 g/mol
Exact Mass222.98
IUPAC Namemethyl (2R)-2-[(2-bromoacetyl)amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)CBr
InChIInChI=1S/C6H10BrNO3/c1-4(6(10)11-2)8-5(9)3-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
InChIKeyBASISBBJBUGNEY-SCSAIBSYSA-N
XLogP0.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 methyl (2R)-2-[(2-bromoacetyl)amino]propanoate?
The IUPAC name of methyl (2R)-2-[(2-bromoacetyl)amino]propanoate (CID 15674446) is methyl (2R)-2-[(2-bromoacetyl)amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[(2-bromoacetyl)amino]propanoate?
The canonical SMILES for methyl (2R)-2-[(2-bromoacetyl)amino]propanoate is COC(=O)[C@@H](C)NC(=O)CBr.
What is the InChIKey of methyl (2R)-2-[(2-bromoacetyl)amino]propanoate?
The InChIKey is BASISBBJBUGNEY-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10BrNO3/c1-4(6(10)11-2)8-5(9)3-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-bromoacetyl)amino]propanoate?
methyl (2R)-2-[(2-bromoacetyl)amino]propanoate has a molecular weight of 224.05 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-bromoacetyl)amino]propanoate is sourced from PubChem (CID 15674446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).