3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid

C10H9Br2NO4 — CID 107938123

IUPAC3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H9Br2NO4/c11-5-1-2-6(7(12)3-5)9(15)13-4-8(14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17)
InChIKeyBMUHXPJAYINVJL-UHFFFAOYSA-N
MW366.99 g/mol
LogP1.39
Rot. Bonds4

About 3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid

3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid (PubChem CID 107938123) has the molecular formula C10H9Br2NO4 and a molecular weight of 366.99 g/mol. Its IUPAC name is 3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
PubChem CID107938123
Molecular FormulaC10H9Br2NO4
Molecular Weight366.99 g/mol
Exact Mass364.89
IUPAC Name3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H9Br2NO4/c11-5-1-2-6(7(12)3-5)9(15)13-4-8(14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17)
InChIKeyBMUHXPJAYINVJL-UHFFFAOYSA-N
XLogP1.39
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.99
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833831
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
(2S)-3-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833572
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103883092
N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide
CID 107940139
2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 103882658
2,4-dibromo-N-(2-chloropentyl)benzamide
CID 107941412
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
(2S)-3-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833301
2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide
CID 107941541
2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide
CID 104860776
(2S)-3-[(2,4-difluorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833479

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid (CID 107938123) is 3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid is O=C(NCC(O)C(=O)O)c1ccc(Br)cc1Br.
What is the InChIKey of 3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid?
The InChIKey is BMUHXPJAYINVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO4/c11-5-1-2-6(7(12)3-5)9(15)13-4-8(14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17).
What are the key properties of 3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid?
3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid has a molecular weight of 366.99 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107938123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).