(2-amino-2-oxoethyl) 2-bromobenzoate

C9H8BrNO3 — CID 3932634

IUPAC(2-amino-2-oxoethyl) 2-bromobenzoate
SMILESNC(=O)COC(=O)c1ccccc1Br
InChIInChI=1S/C9H8BrNO3/c10-7-4-2-1-3-6(7)9(13)14-5-8(11)12/h1-4H,5H2,(H2,11,12)
InChIKeyQULHOBZVAMCYGW-UHFFFAOYSA-N
MW258.07 g/mol
LogP1.09
Rot. Bonds3

About (2-amino-2-oxoethyl) 2-bromobenzoate

(2-amino-2-oxoethyl) 2-bromobenzoate (PubChem CID 3932634) has the molecular formula C9H8BrNO3 and a molecular weight of 258.07 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-bromobenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-bromobenzoate
PubChem CID3932634
Molecular FormulaC9H8BrNO3
Molecular Weight258.07 g/mol
Exact Mass256.97
IUPAC Name(2-amino-2-oxoethyl) 2-bromobenzoate
SMILESNC(=O)COC(=O)c1ccccc1Br
InChIInChI=1S/C9H8BrNO3/c10-7-4-2-1-3-6(7)9(13)14-5-8(11)12/h1-4H,5H2,(H2,11,12)
InChIKeyQULHOBZVAMCYGW-UHFFFAOYSA-N
XLogP1.09
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-amino-2-oxoethyl) 2-bromobenzoate 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 2-bromobenzoate
CID 11894
Ethyl 2-bromobenzoate
CID 80186
Benzoic acid, 2-bromo-5-fluoro-, ethyl ester
CID 15037299
2-(Cyclopentylamino)-2-oxoethyl 2-bromobenzoate
CID 2381938
[2-(Ethylamino)-2-oxoethyl] 3-bromobenzoate
CID 2398852
[2-(Azepan-1-yl)-2-oxoethyl] 2-bromobenzoate
CID 4137422
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-bromobenzoate
CID 2381947
(2-Morpholin-4-yl-2-oxoethyl) 2-bromobenzoate
CID 2439019
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-bromobenzoate
CID 5018705
(Aminocarbonyl)methyl benzoate
CID 5172949
Ethyl 2-bromo-3-fluorobenzoate
CID 46311267
Benzoic acid, (2-bromophenyl)methyl ester
CID 16719031

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-bromobenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-bromobenzoate (CID 3932634) is (2-amino-2-oxoethyl) 2-bromobenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-bromobenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-bromobenzoate is NC(=O)COC(=O)c1ccccc1Br.
What is the InChIKey of (2-amino-2-oxoethyl) 2-bromobenzoate?
The InChIKey is QULHOBZVAMCYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO3/c10-7-4-2-1-3-6(7)9(13)14-5-8(11)12/h1-4H,5H2,(H2,11,12).
What are the key properties of (2-amino-2-oxoethyl) 2-bromobenzoate?
(2-amino-2-oxoethyl) 2-bromobenzoate has a molecular weight of 258.07 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-bromobenzoate is sourced from PubChem (CID 3932634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).