methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate

C11H11Br2NO3 — CID 103882309

IUPACmethyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2NO3/c1-6(11(16)17-2)14-10(15)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3,(H,14,15)/t6-/m0/s1
InChIKeyOIWVFGDJHMMWAS-LURJTMIESA-N
MW365.02 g/mol
LogP2.50
Rot. Bonds3

About methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate

methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate (PubChem CID 103882309) has the molecular formula C11H11Br2NO3 and a molecular weight of 365.02 g/mol. Its IUPAC name is methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
PubChem CID103882309
Molecular FormulaC11H11Br2NO3
Molecular Weight365.02 g/mol
Exact Mass362.91
IUPAC Namemethyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2NO3/c1-6(11(16)17-2)14-10(15)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3,(H,14,15)/t6-/m0/s1
InChIKeyOIWVFGDJHMMWAS-LURJTMIESA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.02
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61141421
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
2,4-dibromo-N-(1,1-dimethoxypropan-2-yl)benzamide
CID 107939092
2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 103882644
methyl 2-[(2-bromo-5-methylbenzoyl)amino]propanoate
CID 81109488
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
methyl (2S)-2-[(2-bromo-5-iodobenzoyl)amino]propanoate
CID 103994280
3-[(2,4-dibromobenzoyl)amino]butanoic acid
CID 107937736
ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
CID 114372027
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]propanoate
CID 61344248
2,4-dibromo-N-carbamoylbenzamide
CID 107941660
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate (CID 103882309) is methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate?
The InChIKey is OIWVFGDJHMMWAS-LURJTMIESA-N. The full InChI is InChI=1S/C11H11Br2NO3/c1-6(11(16)17-2)14-10(15)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3,(H,14,15)/t6-/m0/s1.
What are the key properties of methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate?
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate has a molecular weight of 365.02 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate is sourced from PubChem (CID 103882309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).