2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid

C15H18N2O4 — CID 119954457

IUPAC2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cc2nc(C)ccc2o1
InChIInChI=1S/C15H18N2O4/c1-4-10(3)17(8-14(18)19)15(20)13-7-11-12(21-13)6-5-9(2)16-11/h5-7,10H,4,8H2,1-3H3,(H,18,19)
InChIKeyAIBOUYVKGZGWFO-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.46
Rot. Bonds5

About 2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid

2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid (PubChem CID 119954457) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
PubChem CID119954457
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cc2nc(C)ccc2o1
InChIInChI=1S/C15H18N2O4/c1-4-10(3)17(8-14(18)19)15(20)13-7-11-12(21-13)6-5-9(2)16-11/h5-7,10H,4,8H2,1-3H3,(H,18,19)
InChIKeyAIBOUYVKGZGWFO-UHFFFAOYSA-N
XLogP2.46
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid (CID 119954457) is 2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1cc2nc(C)ccc2o1.
What is the InChIKey of 2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid?
The InChIKey is AIBOUYVKGZGWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-10(3)17(8-14(18)19)15(20)13-7-11-12(21-13)6-5-9(2)16-11/h5-7,10H,4,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid?
2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 119954457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).