5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid

C25H27N3O4S — CID 175254454

IUPAC5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCC(C)(Cc1ccccc1)N(C(=O)c1ccc(-c2ccncc2)s1)C(CCC(=O)O)C(N)=O
InChIInChI=1S/C25H27N3O4S/c1-25(2,16-17-6-4-3-5-7-17)28(19(23(26)31)8-11-22(29)30)24(32)21-10-9-20(33-21)18-12-14-27-15-13-18/h3-7,9-10,12-15,19H,8,11,16H2,1-2H3,(H2,26,31)(H,29,30)
InChIKeyQRUIYQXFUSQCPY-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.99
Rot. Bonds10

About 5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid

5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 175254454) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid
PubChem CID175254454
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCC(C)(Cc1ccccc1)N(C(=O)c1ccc(-c2ccncc2)s1)C(CCC(=O)O)C(N)=O
InChIInChI=1S/C25H27N3O4S/c1-25(2,16-17-6-4-3-5-7-17)28(19(23(26)31)8-11-22(29)30)24(32)21-10-9-20(33-21)18-12-14-27-15-13-18/h3-7,9-10,12-15,19H,8,11,16H2,1-2H3,(H2,26,31)(H,29,30)
InChIKeyQRUIYQXFUSQCPY-UHFFFAOYSA-N
XLogP3.99
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid (CID 175254454) is 5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid is CC(C)(Cc1ccccc1)N(C(=O)c1ccc(-c2ccncc2)s1)C(CCC(=O)O)C(N)=O.
What is the InChIKey of 5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is QRUIYQXFUSQCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-25(2,16-17-6-4-3-5-7-17)28(19(23(26)31)8-11-22(29)30)24(32)21-10-9-20(33-21)18-12-14-27-15-13-18/h3-7,9-10,12-15,19H,8,11,16H2,1-2H3,(H2,26,31)(H,29,30).
What are the key properties of 5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid?
5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 465.58 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-methyl-1-phenylpropan-2-yl)-(5-pyridin-4-ylthiophene-2-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 175254454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).