5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid

C10H11Br2NO3S — CID 102844373

IUPAC5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid
SMILESO=CNC(CCC(=O)O)Cc1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2NO3S/c11-8-4-7(17-10(8)12)3-6(13-5-14)1-2-9(15)16/h4-6H,1-3H2,(H,13,14)(H,15,16)
InChIKeyMIGRJBLQUQTLQZ-UHFFFAOYSA-N
MW385.08 g/mol
LogP2.80
Rot. Bonds7

About 5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid

5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid (PubChem CID 102844373) has the molecular formula C10H11Br2NO3S and a molecular weight of 385.08 g/mol. Its IUPAC name is 5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid.

Molecular Properties

Compound Name5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid
PubChem CID102844373
Molecular FormulaC10H11Br2NO3S
Molecular Weight385.08 g/mol
Exact Mass382.88
IUPAC Name5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid
SMILESO=CNC(CCC(=O)O)Cc1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2NO3S/c11-8-4-7(17-10(8)12)3-6(13-5-14)1-2-9(15)16/h4-6H,1-3H2,(H,13,14)(H,15,16)
InChIKeyMIGRJBLQUQTLQZ-UHFFFAOYSA-N
XLogP2.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.08
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[(4,5-dibromothiophen-2-yl)methyl-propan-2-ylamino]propanoic acid
CID 102844982
5-(2-fluoro-5-methylphenyl)-4-formamidopentanoic acid
CID 114055272
5-(3-ethyl-1-methylpyrazol-4-yl)-4-formamidopentanoic acid
CID 112671131
6-amino-6-(4,5-dibromothiophen-2-yl)hexanoic acid
CID 80535411
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-formamidopentanoic acid
CID 64507920
5-(4-bromo-5-methylthiophen-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 102844380
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410
2-[(4,5-dibromothiophen-2-yl)methylamino]propane-1,3-diol
CID 102836172
2-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 102845145
2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid
CID 102841092
2-[(4,5-dibromothiophen-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 102837298
(3R)-3-(4-bromo-5-methylthiophen-2-yl)-3-formamidopropanoic acid
CID 102841416

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid?
The IUPAC name of 5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid (CID 102844373) is 5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid.
What is the SMILES notation for 5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid?
The canonical SMILES for 5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid is O=CNC(CCC(=O)O)Cc1cc(Br)c(Br)s1.
What is the InChIKey of 5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid?
The InChIKey is MIGRJBLQUQTLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO3S/c11-8-4-7(17-10(8)12)3-6(13-5-14)1-2-9(15)16/h4-6H,1-3H2,(H,13,14)(H,15,16).
What are the key properties of 5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid?
5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid has a molecular weight of 385.08 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dibromothiophen-2-yl)-4-formamidopentanoic acid is sourced from PubChem (CID 102844373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).