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

C11H12BrNO3S — CID 43360381

IUPAC2-[(5-bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)c1csc(Br)c1)(C(=O)O)C1CC1
InChIInChI=1S/C11H12BrNO3S/c1-11(10(15)16,7-2-3-7)13-9(14)6-4-8(12)17-5-6/h4-5,7H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyVZPZZEODYYCDGP-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.49
Rot. Bonds4

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

2-[(5-bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid (PubChem CID 43360381) has the molecular formula C11H12BrNO3S and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-[(5-bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(5-bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid
PubChem CID43360381
Molecular FormulaC11H12BrNO3S
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name2-[(5-bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)c1csc(Br)c1)(C(=O)O)C1CC1
InChIInChI=1S/C11H12BrNO3S/c1-11(10(15)16,7-2-3-7)13-9(14)6-4-8(12)17-5-6/h4-5,7H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyVZPZZEODYYCDGP-UHFFFAOYSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(5-bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid (CID 43360381) is 2-[(5-bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(5-bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(5-bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid is CC(NC(=O)c1csc(Br)c1)(C(=O)O)C1CC1.
What is the InChIKey of 2-[(5-bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is VZPZZEODYYCDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3S/c1-11(10(15)16,7-2-3-7)13-9(14)6-4-8(12)17-5-6/h4-5,7H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid?
2-[(5-bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 318.19 g/mol, XLogP of 2.49, 4 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]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 43360381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).