5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid

C10H12BrNO3S — CID 61011624

IUPAC5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H12BrNO3S/c11-8-5-4-7(16-8)6-12-9(13)2-1-3-10(14)15/h4-5H,1-3,6H2,(H,12,13)(H,14,15)
InChIKeyBIXBRVKRDRQUFM-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.38
Rot. Bonds6

About 5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid

5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid (PubChem CID 61011624) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is 5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid
PubChem CID61011624
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Name5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H12BrNO3S/c11-8-5-4-7(16-8)6-12-9(13)2-1-3-10(14)15/h4-5H,1-3,6H2,(H,12,13)(H,14,15)
InChIKeyBIXBRVKRDRQUFM-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide
CID 79210221
N-[(5-bromothiophen-2-yl)methyl]pentanamide
CID 60738185
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897
N-[(5-bromothiophen-2-yl)methyl]-4-ethoxybutanamide
CID 112728063
5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide
CID 82852008
N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 32774203
2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61328653
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
tert-butyl N-[4-[(5-bromothiophen-2-yl)methylamino]-4-oxobutyl]carbamate
CID 55590483
2-amino-4-[(5-bromothiophen-2-yl)methylamino]-4-oxobutanoic acid
CID 115181064
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid (CID 61011624) is 5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NCc1ccc(Br)s1.
What is the InChIKey of 5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid?
The InChIKey is BIXBRVKRDRQUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c11-8-5-4-7(16-8)6-12-9(13)2-1-3-10(14)15/h4-5H,1-3,6H2,(H,12,13)(H,14,15).
What are the key properties of 5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid?
5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid has a molecular weight of 306.18 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61011624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).