4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid

C10H11Br2NO3S — CID 103932811

IUPAC4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H11Br2NO3S/c1-5(2-3-8(14)15)13-10(16)6-4-7(11)17-9(6)12/h4-5H,2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeyMUAUGNOFJYLHQP-UHFFFAOYSA-N
MW385.08 g/mol
LogP3.26
Rot. Bonds5

About 4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid

4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid (PubChem CID 103932811) has the molecular formula C10H11Br2NO3S and a molecular weight of 385.08 g/mol. Its IUPAC name is 4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid
PubChem CID103932811
Molecular FormulaC10H11Br2NO3S
Molecular Weight385.08 g/mol
Exact Mass382.88
IUPAC Name4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H11Br2NO3S/c1-5(2-3-8(14)15)13-10(16)6-4-7(11)17-9(6)12/h4-5H,2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeyMUAUGNOFJYLHQP-UHFFFAOYSA-N
XLogP3.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.08
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide
CID 107966027
4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308129
(E)-2-[(2,5-dibromothiophene-3-carbonyl)amino]hex-4-enoic acid
CID 120693306
2,5-dibromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)thiophene-3-carboxamide
CID 114177005
N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
CID 119587933
2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
CID 103806921
4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid
CID 120534855
2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide
CID 113237232
2-[1-[(2,5-dibromothiophene-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107949317
5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683979
(4S)-4-[(5-fluoro-2-methylbenzoyl)amino]pentanoic acid
CID 95359084
N-[1-(3-aminophenyl)ethyl]-2,5-dibromothiophene-3-carboxamide
CID 107959305

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid (CID 103932811) is 4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid?
The InChIKey is MUAUGNOFJYLHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO3S/c1-5(2-3-8(14)15)13-10(16)6-4-7(11)17-9(6)12/h4-5H,2-3H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid?
4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid has a molecular weight of 385.08 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 103932811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).