(2-bromophenyl)methyl 2-(methylamino)acetate

C10H12BrNO2 — CID 82824076

IUPAC(2-bromophenyl)methyl 2-(methylamino)acetate
SMILESCNCC(=O)OCc1ccccc1Br
InChIInChI=1S/C10H12BrNO2/c1-12-6-10(13)14-7-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3
InChIKeyARJWVMHZMWIWGB-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.71
Rot. Bonds4

About (2-bromophenyl)methyl 2-(methylamino)acetate

(2-bromophenyl)methyl 2-(methylamino)acetate (PubChem CID 82824076) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is (2-bromophenyl)methyl 2-(methylamino)acetate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 2-(methylamino)acetate
PubChem CID82824076
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(2-bromophenyl)methyl 2-(methylamino)acetate
SMILESCNCC(=O)OCc1ccccc1Br
InChIInChI=1S/C10H12BrNO2/c1-12-6-10(13)14-7-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3
InChIKeyARJWVMHZMWIWGB-UHFFFAOYSA-N
XLogP1.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)methyl 3-(propan-2-ylamino)propanoate
CID 82824277
(2-bromophenyl)methyl 2-[(2-methylpropan-2-yl)oxy]acetate
CID 23518844
(2-bromophenyl)methyl (2S)-2-aminopropanoate
CID 82823528
(2-bromophenyl)methyl 3-(2-aminophenyl)propanoate
CID 107273925
1-O-[(2-bromophenyl)methyl] 5-O-(2-methylpropyl) pentanedioate
CID 91708623
5-O-[(2-bromophenyl)methyl] 1-O-pentadecyl pentanedioate
CID 91708468
(2-bromophenyl)methyl 2-(2-nitrophenyl)acetate
CID 55316012
(2-bromophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61321553
(2-bromophenyl)methyl 3-amino-2,3-dimethylbutanoate
CID 102132563
(2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
CID 82823326
[2-(3-oxobutanoyloxymethyl)phenyl]methyl 3-oxobutanoate
CID 70128159
(2-bromophenyl)methyl 2-benzylbenzoate
CID 7809558

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 2-(methylamino)acetate?
The IUPAC name of (2-bromophenyl)methyl 2-(methylamino)acetate (CID 82824076) is (2-bromophenyl)methyl 2-(methylamino)acetate.
What is the SMILES notation for (2-bromophenyl)methyl 2-(methylamino)acetate?
The canonical SMILES for (2-bromophenyl)methyl 2-(methylamino)acetate is CNCC(=O)OCc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)methyl 2-(methylamino)acetate?
The InChIKey is ARJWVMHZMWIWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-12-6-10(13)14-7-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3.
What are the key properties of (2-bromophenyl)methyl 2-(methylamino)acetate?
(2-bromophenyl)methyl 2-(methylamino)acetate has a molecular weight of 258.11 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 2-(methylamino)acetate is sourced from PubChem (CID 82824076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).