2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid

C13H14N2O4 — CID 119237089

IUPAC2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid
SMILESCc1ccc2oc(C(=O)NCC(C)C(=O)O)cc2n1
InChIInChI=1S/C13H14N2O4/c1-7(13(17)18)6-14-12(16)11-5-9-10(19-11)4-3-8(2)15-9/h3-5,7H,6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyICPQGXOKHBGJPO-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.59
Rot. Bonds4

About 2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid

2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid (PubChem CID 119237089) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid
PubChem CID119237089
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid
SMILESCc1ccc2oc(C(=O)NCC(C)C(=O)O)cc2n1
InChIInChI=1S/C13H14N2O4/c1-7(13(17)18)6-14-12(16)11-5-9-10(19-11)4-3-8(2)15-9/h3-5,7H,6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyICPQGXOKHBGJPO-UHFFFAOYSA-N
XLogP1.59
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid (CID 119237089) is 2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid is Cc1ccc2oc(C(=O)NCC(C)C(=O)O)cc2n1.
What is the InChIKey of 2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is ICPQGXOKHBGJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7(13(17)18)6-14-12(16)11-5-9-10(19-11)4-3-8(2)15-9/h3-5,7H,6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid?
2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 262.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119237089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).