2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid

C11H14BrNO3S — CID 43353273

IUPAC2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1csc(Br)c1)C(=O)O
InChIInChI=1S/C11H14BrNO3S/c1-6(2)3-8(11(15)16)13-10(14)7-4-9(12)17-5-7/h4-6,8H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyFKLOWDJAYGJUNB-UHFFFAOYSA-N
MW320.21 g/mol
LogP2.74
Rot. Bonds5

About 2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid

2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 43353273) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID43353273
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1csc(Br)c1)C(=O)O
InChIInChI=1S/C11H14BrNO3S/c1-6(2)3-8(11(15)16)13-10(14)7-4-9(12)17-5-7/h4-6,8H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyFKLOWDJAYGJUNB-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357752
2-[(5-bromothiophene-3-carbonyl)amino]-3-phenylpropanoic acid
CID 43353217
2-[(5-bromothiophene-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786881
(2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
CID 119361365
(2R)-2-[(5-bromothiophene-3-carbonyl)amino]hexanedioic acid
CID 107831476
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 43354005
(2S)-2-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
CID 119361530
2-[(5-bromothiophene-3-carbonyl)amino]-4-phenylbutanoic acid
CID 114916690
(2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 119364770
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
CID 120505953
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate
CID 43623494

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid (CID 43353273) is 2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)c1csc(Br)c1)C(=O)O.
What is the InChIKey of 2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is FKLOWDJAYGJUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-6(2)3-8(11(15)16)13-10(14)7-4-9(12)17-5-7/h4-6,8H,3H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid?
2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 320.21 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 43353273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).