2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid

C14H15NO4 — CID 71915499

IUPAC2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
SMILESCc1cccc2cc(C(=O)NCC(C)C(=O)O)oc12
InChIInChI=1S/C14H15NO4/c1-8-4-3-5-10-6-11(19-12(8)10)13(16)15-7-9(2)14(17)18/h3-6,9H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyACZUXRDQSZCOAY-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.19
Rot. Bonds4

About 2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid

2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid (PubChem CID 71915499) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
PubChem CID71915499
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
SMILESCc1cccc2cc(C(=O)NCC(C)C(=O)O)oc12
InChIInChI=1S/C14H15NO4/c1-8-4-3-5-10-6-11(19-12(8)10)13(16)15-7-9(2)14(17)18/h3-6,9H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyACZUXRDQSZCOAY-UHFFFAOYSA-N
XLogP2.19
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-methyl-2-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119194155
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
CID 99646762
5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119234840
N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide
CID 48980635
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484
2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834914
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid
CID 119237089
2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 119217742
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-(2-fluorophenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48980668

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid (CID 71915499) is 2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid is Cc1cccc2cc(C(=O)NCC(C)C(=O)O)oc12.
What is the InChIKey of 2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
The InChIKey is ACZUXRDQSZCOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8-4-3-5-10-6-11(19-12(8)10)13(16)15-7-9(2)14(17)18/h3-6,9H,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 71915499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).