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

C11H11Br2NO3 — CID 107937736

IUPAC3-[(2,4-dibromobenzoyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2NO3/c1-6(4-10(15)16)14-11(17)8-3-2-7(12)5-9(8)13/h2-3,5-6H,4H2,1H3,(H,14,17)(H,15,16)
InChIKeyMEMITZQZIYMNNK-UHFFFAOYSA-N
MW365.02 g/mol
LogP2.80
Rot. Bonds4

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

3-[(2,4-dibromobenzoyl)amino]butanoic acid (PubChem CID 107937736) has the molecular formula C11H11Br2NO3 and a molecular weight of 365.02 g/mol. Its IUPAC name is 3-[(2,4-dibromobenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2,4-dibromobenzoyl)amino]butanoic acid
PubChem CID107937736
Molecular FormulaC11H11Br2NO3
Molecular Weight365.02 g/mol
Exact Mass362.91
IUPAC Name3-[(2,4-dibromobenzoyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2NO3/c1-6(4-10(15)16)14-11(17)8-3-2-7(12)5-9(8)13/h2-3,5-6H,4H2,1H3,(H,14,17)(H,15,16)
InChIKeyMEMITZQZIYMNNK-UHFFFAOYSA-N
XLogP2.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.02
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
2,4-dibromo-N-heptan-2-ylbenzamide
CID 114019926
2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 103883078
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309
2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide
CID 104860776
2,4-dibromo-N-(1,1-dimethoxypropan-2-yl)benzamide
CID 107939092
2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide
CID 107941159
2,4-dibromo-N-methylbenzamide
CID 54214948
4-bromo-N-butan-2-yl-2-hydroxybenzamide
CID 47435868
3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
CID 107938123
4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308129
2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 103882644

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dibromobenzoyl)amino]butanoic acid?
The IUPAC name of 3-[(2,4-dibromobenzoyl)amino]butanoic acid (CID 107937736) is 3-[(2,4-dibromobenzoyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2,4-dibromobenzoyl)amino]butanoic acid?
The canonical SMILES for 3-[(2,4-dibromobenzoyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 3-[(2,4-dibromobenzoyl)amino]butanoic acid?
The InChIKey is MEMITZQZIYMNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO3/c1-6(4-10(15)16)14-11(17)8-3-2-7(12)5-9(8)13/h2-3,5-6H,4H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(2,4-dibromobenzoyl)amino]butanoic acid?
3-[(2,4-dibromobenzoyl)amino]butanoic acid has a molecular weight of 365.02 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dibromobenzoyl)amino]butanoic acid is sourced from PubChem (CID 107937736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).