methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate

C9H9Br2NO2 — CID 130927845

IUPACmethyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(Br)c(Br)c1
InChIInChI=1S/C9H9Br2NO2/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4,8H,12H2,1H3/t8-/m1/s1
InChIKeyMLBAXJOBPQALON-MRVPVSSYSA-N
MW322.98 g/mol
LogP2.38
Rot. Bonds2

About methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate

methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate (PubChem CID 130927845) has the molecular formula C9H9Br2NO2 and a molecular weight of 322.98 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate
PubChem CID130927845
Molecular FormulaC9H9Br2NO2
Molecular Weight322.98 g/mol
Exact Mass320.90
IUPAC Namemethyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(Br)c(Br)c1
InChIInChI=1S/C9H9Br2NO2/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4,8H,12H2,1H3/t8-/m1/s1
InChIKeyMLBAXJOBPQALON-MRVPVSSYSA-N
XLogP2.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.98
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate
CID 10082311
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191
methyl 2-amino-2-(4-chloro-3-methylphenyl)acetate
CID 130059187
methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420
methyl 2-(cyclopropylmethylamino)-2-(3,4-dibromophenyl)acetate
CID 114077398
methyl 2-(3,4-dibromophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 114077400
methyl 2-amino-2-(3-propan-2-ylphenyl)acetate
CID 20824071
methyl (2R)-2-amino-2-(4-cyanophenyl)acetate
CID 58916884
methyl (2R)-2-amino-2-(4-chloro-3-methoxyphenyl)acetate
CID 171230748
methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
CID 7278759
methyl (2R)-2-amino-2-(4-methoxy-3-methylphenyl)acetate;hydrochloride
CID 171233347
methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
CID 66156456

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate (CID 130927845) is methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate is COC(=O)[C@H](N)c1ccc(Br)c(Br)c1.
What is the InChIKey of methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate?
The InChIKey is MLBAXJOBPQALON-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9Br2NO2/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4,8H,12H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate?
methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate has a molecular weight of 322.98 g/mol, XLogP of 2.38, 2 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-(3,4-dibromophenyl)acetate is sourced from PubChem (CID 130927845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).