5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid

C19H23NO3S — CID 15667446

IUPAC5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ccc(CCCc2ccccc2)s1
InChIInChI=1S/C19H23NO3S/c21-18(10-5-11-19(22)23)20-14-17-13-12-16(24-17)9-4-8-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,20,21)(H,22,23)
InChIKeyJYQPADJNMOJJFK-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.79
Rot. Bonds10

About 5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid

5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid (PubChem CID 15667446) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid
PubChem CID15667446
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ccc(CCCc2ccccc2)s1
InChIInChI=1S/C19H23NO3S/c21-18(10-5-11-19(22)23)20-14-17-13-12-16(24-17)9-4-8-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,20,21)(H,22,23)
InChIKeyJYQPADJNMOJJFK-UHFFFAOYSA-N
XLogP3.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid?
The IUPAC name of 5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid (CID 15667446) is 5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid is O=C(O)CCCC(=O)NCc1ccc(CCCc2ccccc2)s1.
What is the InChIKey of 5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid?
The InChIKey is JYQPADJNMOJJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c21-18(10-5-11-19(22)23)20-14-17-13-12-16(24-17)9-4-8-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,20,21)(H,22,23).
What are the key properties of 5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid?
5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid has a molecular weight of 345.46 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[[5-(3-phenylpropyl)thiophen-2-yl]methylamino]pentanoic acid is sourced from PubChem (CID 15667446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).