methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate

C11H11Br2NO4 — CID 104920530

IUPACmethyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H11Br2NO4/c1-18-11(17)9(15)5-14-10(16)7-4-6(12)2-3-8(7)13/h2-4,9,15H,5H2,1H3,(H,14,16)
InChIKeyDSZPNVCCIWFFFN-UHFFFAOYSA-N
MW381.02 g/mol
LogP1.48
Rot. Bonds4

About methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate

methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate (PubChem CID 104920530) has the molecular formula C11H11Br2NO4 and a molecular weight of 381.02 g/mol. Its IUPAC name is methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate
PubChem CID104920530
Molecular FormulaC11H11Br2NO4
Molecular Weight381.02 g/mol
Exact Mass378.91
IUPAC Namemethyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H11Br2NO4/c1-18-11(17)9(15)5-14-10(16)7-4-6(12)2-3-8(7)13/h2-4,9,15H,5H2,1H3,(H,14,16)
InChIKeyDSZPNVCCIWFFFN-UHFFFAOYSA-N
XLogP1.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.02
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
CID 103879318
2,5-dibromo-N-(2-chlorobutyl)benzamide
CID 114375877
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide
CID 114374319
methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
CID 113344182
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
methyl 2-[(2,5-dibromobenzoyl)amino]-3-methylbutanoate
CID 114370220
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
3-[(2-bromo-5-methylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144195
3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
CID 107938123
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801
2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
CID 114375751

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate (CID 104920530) is methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate?
The InChIKey is DSZPNVCCIWFFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO4/c1-18-11(17)9(15)5-14-10(16)7-4-6(12)2-3-8(7)13/h2-4,9,15H,5H2,1H3,(H,14,16).
What are the key properties of methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate?
methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate has a molecular weight of 381.02 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 104920530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).