methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate

C12H15BrN2O3 — CID 95771276

IUPACmethyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate
SMILESCOC(=O)[C@@H](c1ccc(Br)cc1)N(C)CC(N)=O
InChIInChI=1S/C12H15BrN2O3/c1-15(7-10(14)16)11(12(17)18-2)8-3-5-9(13)6-4-8/h3-6,11H,7H2,1-2H3,(H2,14,16)/t11-/m1/s1
InChIKeyNQFUUWHIJQIBQJ-LLVKDONJSA-N
MW315.17 g/mol
LogP1.08
Rot. Bonds5

About methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate

methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate (PubChem CID 95771276) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate
PubChem CID95771276
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Namemethyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate
SMILESCOC(=O)[C@@H](c1ccc(Br)cc1)N(C)CC(N)=O
InChIInChI=1S/C12H15BrN2O3/c1-15(7-10(14)16)11(12(17)18-2)8-3-5-9(13)6-4-8/h3-6,11H,7H2,1-2H3,(H2,14,16)/t11-/m1/s1
InChIKeyNQFUUWHIJQIBQJ-LLVKDONJSA-N
XLogP1.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]acetate
CID 95980534
2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid
CID 82345029
methyl 2-(4-bromophenyl)-3-methoxypropanoate
CID 117245340
2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid
CID 11219545
methyl 2-[(4-bromophenyl)methyl-methylamino]propanoate
CID 60705767
methyl (2S)-2-(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetate
CID 95276021
methyl 2-(4-bromophenyl)-3-oxobutanoate
CID 82306028
(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide
CID 94453902
methyl (2R)-2-(4-bromophenyl)-2-[2-methoxyethyl-[(2R)-2-methylpentanoyl]amino]acetate
CID 95777233
methyl (2S)-2-(4-bromophenyl)-2-[2-methoxyethyl-[(2R)-2-methylpentanoyl]amino]acetate
CID 95777231
methyl (2R,3S)-2-amino-3-(4-bromophenyl)-3-hydroxypropanoate
CID 14314190
ethane;methyl 3-(4-bromophenyl)-2-methylbutanoate
CID 142474459

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate?
The IUPAC name of methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate (CID 95771276) is methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate.
What is the SMILES notation for methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate?
The canonical SMILES for methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate is COC(=O)[C@@H](c1ccc(Br)cc1)N(C)CC(N)=O.
What is the InChIKey of methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate?
The InChIKey is NQFUUWHIJQIBQJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-15(7-10(14)16)11(12(17)18-2)8-3-5-9(13)6-4-8/h3-6,11H,7H2,1-2H3,(H2,14,16)/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate?
methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate has a molecular weight of 315.17 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate is sourced from PubChem (CID 95771276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).