2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid

C14H15NO4 — CID 62627105

IUPAC2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
SMILESCc1ccc2oc(C(=O)N(C)C(C)C(=O)O)cc2c1
InChIInChI=1S/C14H15NO4/c1-8-4-5-11-10(6-8)7-12(19-11)13(16)15(3)9(2)14(17)18/h4-7,9H,1-3H3,(H,17,18)
InChIKeyYDSZDOQNBCBHEB-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.29
Rot. Bonds3

About 2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid

2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid (PubChem CID 62627105) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
PubChem CID62627105
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
SMILESCc1ccc2oc(C(=O)N(C)C(C)C(=O)O)cc2c1
InChIInChI=1S/C14H15NO4/c1-8-4-5-11-10(6-8)7-12(19-11)13(16)15(3)9(2)14(17)18/h4-7,9H,1-3H3,(H,17,18)
InChIKeyYDSZDOQNBCBHEB-UHFFFAOYSA-N
XLogP2.29
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 76987605
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
N-(2-chloroethyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 63391619
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one
CID 114737056
2-[(2-bromo-5-methylbenzoyl)-methylamino]propanoic acid
CID 81110546
2-[methyl-(5-methyl-1,3-benzoxazol-2-yl)amino]propanoic acid
CID 83841395
3-methyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808089
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 109388505
1-(5-methyl-1-benzofuran-2-yl)prop-2-yn-1-one
CID 105108138

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid (CID 62627105) is 2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid is Cc1ccc2oc(C(=O)N(C)C(C)C(=O)O)cc2c1.
What is the InChIKey of 2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
The InChIKey is YDSZDOQNBCBHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8-4-5-11-10(6-8)7-12(19-11)13(16)15(3)9(2)14(17)18/h4-7,9H,1-3H3,(H,17,18).
What are the key properties of 2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62627105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).