[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate

C12H14BrNO3 — CID 9412570

IUPAC[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate
SMILESCCNC(=O)[C@@H](C)OC(=O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO3/c1-3-14-11(15)8(2)17-12(16)9-6-4-5-7-10(9)13/h4-8H,3H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyCJEBAYQEWPCPSM-MRVPVSSYSA-N
MW300.15 g/mol
LogP2.13
Rot. Bonds4

About [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate (PubChem CID 9412570) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate.

Molecular Properties

Compound Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate
PubChem CID9412570
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate
SMILESCCNC(=O)[C@@H](C)OC(=O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO3/c1-3-14-11(15)8(2)17-12(16)9-6-4-5-7-10(9)13/h4-8H,3H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyCJEBAYQEWPCPSM-MRVPVSSYSA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 9412610
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 47004055
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476764
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromo-5-sulfamoylbenzoate
CID 8638497
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromo-5-sulfamoylbenzoate
CID 8638501
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (E)-3-(2-bromophenyl)prop-2-enoate
CID 8642283
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 4613859
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476825
[1-(ethylamino)-1-oxopropan-2-yl] 2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate
CID 24501013
[1-(ethylamino)-1-oxopropan-2-yl] 5-amino-2-bromo-4-fluorobenzoate
CID 55118575
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 8601672
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-bromobenzoate
CID 16539796

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate?
The IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate (CID 9412570) is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate.
What is the SMILES notation for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate?
The canonical SMILES for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate is CCNC(=O)[C@@H](C)OC(=O)c1ccccc1Br.
What is the InChIKey of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate?
The InChIKey is CJEBAYQEWPCPSM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-3-14-11(15)8(2)17-12(16)9-6-4-5-7-10(9)13/h4-8H,3H2,1-2H3,(H,14,15)/t8-/m1/s1.
What are the key properties of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate?
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate has a molecular weight of 300.15 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate is sourced from PubChem (CID 9412570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).