butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate

C14H18N2O6 — CID 121245335

IUPACbutyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate
SMILESCCCCOC(=O)CNC(=O)c1c(O)c2c([nH]c1=O)COC2
InChIInChI=1S/C14H18N2O6/c1-2-3-4-22-10(17)5-15-13(19)11-12(18)8-6-21-7-9(8)16-14(11)20/h2-7H2,1H3,(H,15,19)(H2,16,18,20)
InChIKeyROFQYXMTQZGZAF-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.18
Rot. Bonds6

About butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate

butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate (PubChem CID 121245335) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate
PubChem CID121245335
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Namebutyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate
SMILESCCCCOC(=O)CNC(=O)c1c(O)c2c([nH]c1=O)COC2
InChIInChI=1S/C14H18N2O6/c1-2-3-4-22-10(17)5-15-13(19)11-12(18)8-6-21-7-9(8)16-14(11)20/h2-7H2,1H3,(H,15,19)(H2,16,18,20)
InChIKeyROFQYXMTQZGZAF-UHFFFAOYSA-N
XLogP0.18
TPSA117.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

butyl 2-(methylamino)acetate;methane
CID 157477406
butyl 2-[(7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetate
CID 86643521
butyl 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetate
CID 51136164
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
butyl 8-[(2-butoxy-2-oxoethyl)amino]-8-oxooctanoate
CID 6426995
butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate
CID 114262495
butyl (2E)-2-[(8E)-8-(2-butoxy-2-oxoethylidene)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octan-7-ylidene]acetate
CID 23257088
tridecyl 2-[(4-ethylbenzoyl)amino]acetate
CID 6422884
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
ethyl-[2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 54711894
[(2-butoxy-2-oxoethyl)amino]methylphosphonic acid
CID 13208151
butyl 2-(1-cyclopropylbutan-2-ylamino)acetate
CID 63995531

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate?
The IUPAC name of butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate (CID 121245335) is butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate?
The canonical SMILES for butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate is CCCCOC(=O)CNC(=O)c1c(O)c2c([nH]c1=O)COC2.
What is the InChIKey of butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate?
The InChIKey is ROFQYXMTQZGZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6/c1-2-3-4-22-10(17)5-15-13(19)11-12(18)8-6-21-7-9(8)16-14(11)20/h2-7H2,1H3,(H,15,19)(H2,16,18,20).
What are the key properties of butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate?
butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate has a molecular weight of 310.31 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(4-hydroxy-2-oxo-5,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 121245335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).