2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid

C15H16N4O6 — CID 121246113

IUPAC2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
SMILESCn1cnc(Cn2c3c(c(O)c(C(=O)NCC(=O)O)c2=O)COC3)c1
InChIInChI=1S/C15H16N4O6/c1-18-3-8(17-7-18)4-19-10-6-25-5-9(10)13(22)12(15(19)24)14(23)16-2-11(20)21/h3,7,22H,2,4-6H2,1H3,(H,16,23)(H,20,21)
InChIKeyHHLNAMOVOVCQQJ-UHFFFAOYSA-N
MW348.32 g/mol
LogP-0.82
Rot. Bonds5

About 2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid

2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid (PubChem CID 121246113) has the molecular formula C15H16N4O6 and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
PubChem CID121246113
Molecular FormulaC15H16N4O6
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
SMILESCn1cnc(Cn2c3c(c(O)c(C(=O)NCC(=O)O)c2=O)COC3)c1
InChIInChI=1S/C15H16N4O6/c1-18-3-8(17-7-18)4-19-10-6-25-5-9(10)13(22)12(15(19)24)14(23)16-2-11(20)21/h3,7,22H,2,4-6H2,1H3,(H,16,23)(H,20,21)
InChIKeyHHLNAMOVOVCQQJ-UHFFFAOYSA-N
XLogP-0.82
TPSA135.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid (CID 121246113) is 2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid is Cn1cnc(Cn2c3c(c(O)c(C(=O)NCC(=O)O)c2=O)COC3)c1.
What is the InChIKey of 2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is HHLNAMOVOVCQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O6/c1-18-3-8(17-7-18)4-19-10-6-25-5-9(10)13(22)12(15(19)24)14(23)16-2-11(20)21/h3,7,22H,2,4-6H2,1H3,(H,16,23)(H,20,21).
What are the key properties of 2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?
2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 348.32 g/mol, XLogP of -0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 121246113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).