4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid

C14H21NO3S — CID 62044158

IUPAC4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCCc1sc(C(=O)NC(C)(C)CCC(=O)O)cc1C
InChIInChI=1S/C14H21NO3S/c1-5-10-9(2)8-11(19-10)13(18)15-14(3,4)7-6-12(16)17/h8H,5-7H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyDXMPAEPTRAFSPC-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.99
Rot. Bonds6

About 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid

4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 62044158) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID62044158
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCCc1sc(C(=O)NC(C)(C)CCC(=O)O)cc1C
InChIInChI=1S/C14H21NO3S/c1-5-10-9(2)8-11(19-10)13(18)15-14(3,4)7-6-12(16)17/h8H,5-7H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyDXMPAEPTRAFSPC-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid (CID 62044158) is 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid is CCc1sc(C(=O)NC(C)(C)CCC(=O)O)cc1C.
What is the InChIKey of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is DXMPAEPTRAFSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-5-10-9(2)8-11(19-10)13(18)15-14(3,4)7-6-12(16)17/h8H,5-7H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid?
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 283.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62044158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).