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

C13H14N2O4 — CID 119206117

IUPAC2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc2nc(C)ccc2o1
InChIInChI=1S/C13H14N2O4/c1-3-15(7-12(16)17)13(18)11-6-9-10(19-11)5-4-8(2)14-9/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyPMSOMJBLBIELST-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.68
Rot. Bonds4

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

2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid (PubChem CID 119206117) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
PubChem CID119206117
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc2nc(C)ccc2o1
InChIInChI=1S/C13H14N2O4/c1-3-15(7-12(16)17)13(18)11-6-9-10(19-11)5-4-8(2)14-9/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyPMSOMJBLBIELST-UHFFFAOYSA-N
XLogP1.68
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
CID 119189294
2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
CID 119954457
N-ethyl-5-methyl-N-phenylfuro[3,2-b]pyridine-2-carboxamide
CID 16906958
2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid
CID 119237089
2-[(7-bromo-5-methyl-1-benzofuran-2-carbonyl)-ethylamino]acetic acid
CID 120519719
N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]furo[3,2-b]pyridine-2-carboxamide
CID 95291043
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 61094259
(3,4-dichlorophenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 78929568
(5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone
CID 79168682
N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide
CID 122158480
2-(2-methoxyphenyl)-1-(5-methylfuro[3,2-b]pyridin-2-yl)ethanone
CID 167834438
2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid
CID 54901352

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid (CID 119206117) is 2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1cc2nc(C)ccc2o1.
What is the InChIKey of 2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid?
The InChIKey is PMSOMJBLBIELST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-15(7-12(16)17)13(18)11-6-9-10(19-11)5-4-8(2)14-9/h4-6H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid?
2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 119206117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).