3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid

C14H21NO3S — CID 71915583

IUPAC3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)C(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C14H21NO3S/c1-4-9(2)12(14(17)18)15-13(16)10(3)8-11-6-5-7-19-11/h5-7,9-10,12H,4,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyCBTAMPDRAMMCGA-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.54
Rot. Bonds7

About 3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid

3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid (PubChem CID 71915583) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid
PubChem CID71915583
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)C(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C14H21NO3S/c1-4-9(2)12(14(17)18)15-13(16)10(3)8-11-6-5-7-19-11/h5-7,9-10,12H,4,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyCBTAMPDRAMMCGA-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid (CID 71915583) is 3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid is CCC(C)C(NC(=O)C(C)Cc1cccs1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid?
The InChIKey is CBTAMPDRAMMCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-9(2)12(14(17)18)15-13(16)10(3)8-11-6-5-7-19-11/h5-7,9-10,12H,4,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid?
3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid has a molecular weight of 283.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methyl-3-thiophen-2-ylpropanoyl)amino]pentanoic acid is sourced from PubChem (CID 71915583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).