methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate

C11H12BrNO3 — CID 94813092

IUPACmethyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
SMILESCOC(=O)[C@H](NC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO3/c1-7(14)13-10(11(15)16-2)8-3-5-9(12)6-4-8/h3-6,10H,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyKLBMBSNKYPGCAR-SNVBAGLBSA-N
MW286.13 g/mol
LogP1.80
Rot. Bonds3

About methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate

methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate (PubChem CID 94813092) has the molecular formula C11H12BrNO3 and a molecular weight of 286.13 g/mol. Its IUPAC name is methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
PubChem CID94813092
Molecular FormulaC11H12BrNO3
Molecular Weight286.13 g/mol
Exact Mass285.00
IUPAC Namemethyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
SMILESCOC(=O)[C@H](NC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO3/c1-7(14)13-10(11(15)16-2)8-3-5-9(12)6-4-8/h3-6,10H,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyKLBMBSNKYPGCAR-SNVBAGLBSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-(4-bromophenyl)-2-[(2-chloro-2-fluoroacetyl)amino]acetate
CID 166427854
methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate
CID 94819141
methyl 2-acetamido-2-(5-bromo-2-methylphenyl)acetate
CID 116860631
methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate
CID 124839584
methyl (2S)-2-(4-bromophenyl)-2-(furan-2-carbonylamino)acetate
CID 94814289
methyl 2-(4-bromophenyl)-3-oxobutanoate
CID 82306028
methyl 2-acetamido-2-naphthalen-2-ylacetate
CID 45100878
methyl (2S)-2-(4-bromophenyl)-2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 95154759
methyl 2-(4-bromophenyl)-2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetate
CID 47085619
methyl (2S)-2-(4-bromophenyl)-2-[(3,6-dichloropyridine-2-carbonyl)amino]acetate
CID 52537516

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate?
The IUPAC name of methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate (CID 94813092) is methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate.
What is the SMILES notation for methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate?
The canonical SMILES for methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate is COC(=O)[C@H](NC(C)=O)c1ccc(Br)cc1.
What is the InChIKey of methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate?
The InChIKey is KLBMBSNKYPGCAR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-7(14)13-10(11(15)16-2)8-3-5-9(12)6-4-8/h3-6,10H,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate?
methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate has a molecular weight of 286.13 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate is sourced from PubChem (CID 94813092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).