(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid

C11H14BrNO3S — CID 107563587

IUPAC(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cc(C)c(Br)s1)C(=O)O
InChIInChI=1S/C11H14BrNO3S/c1-3-4-7(11(15)16)13-10(14)8-5-6(2)9(12)17-8/h5,7H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyGFDKPLVYODQYOB-SSDOTTSWSA-N
MW320.21 g/mol
LogP2.80
Rot. Bonds5

About (2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid

(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid (PubChem CID 107563587) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is (2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid
PubChem CID107563587
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cc(C)c(Br)s1)C(=O)O
InChIInChI=1S/C11H14BrNO3S/c1-3-4-7(11(15)16)13-10(14)8-5-6(2)9(12)17-8/h5,7H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyGFDKPLVYODQYOB-SSDOTTSWSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid (CID 107563587) is (2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1cc(C)c(Br)s1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid?
The InChIKey is GFDKPLVYODQYOB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-3-4-7(11(15)16)13-10(14)8-5-6(2)9(12)17-8/h5,7H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid?
(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid has a molecular weight of 320.21 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107563587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).