2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid

C15H17NO4 — CID 119200468

IUPAC2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
SMILESCc1cccc2cc(C(=O)N(C)C(C)(C)C(=O)O)oc12
InChIInChI=1S/C15H17NO4/c1-9-6-5-7-10-8-11(20-12(9)10)13(17)16(4)15(2,3)14(18)19/h5-8H,1-4H3,(H,18,19)
InChIKeyRCYAJUGTTGINKP-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.68
Rot. Bonds3

About 2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid

2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid (PubChem CID 119200468) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
PubChem CID119200468
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
SMILESCc1cccc2cc(C(=O)N(C)C(C)(C)C(=O)O)oc12
InChIInChI=1S/C15H17NO4/c1-9-6-5-7-10-8-11(20-12(9)10)13(17)16(4)15(2,3)14(18)19/h5-8H,1-4H3,(H,18,19)
InChIKeyRCYAJUGTTGINKP-UHFFFAOYSA-N
XLogP2.68
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid (CID 119200468) is 2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid is Cc1cccc2cc(C(=O)N(C)C(C)(C)C(=O)O)oc12.
What is the InChIKey of 2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
The InChIKey is RCYAJUGTTGINKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-6-5-7-10-8-11(20-12(9)10)13(17)16(4)15(2,3)14(18)19/h5-8H,1-4H3,(H,18,19).
What are the key properties of 2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid has a molecular weight of 275.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119200468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).