1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid

C17H26N2O6 — CID 87725826

IUPAC1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N(CCn1ccc(=O)c(C(=O)O)c1)OC(C)(C)C
InChIInChI=1S/C17H26N2O6/c1-16(2,3)24-15(23)19(25-17(4,5)6)10-9-18-8-7-13(20)12(11-18)14(21)22/h7-8,11H,9-10H2,1-6H3,(H,21,22)
InChIKeyBTYMDXOOMJPACB-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.51
Rot. Bonds5

About 1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid

1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 87725826) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid
PubChem CID87725826
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N(CCn1ccc(=O)c(C(=O)O)c1)OC(C)(C)C
InChIInChI=1S/C17H26N2O6/c1-16(2,3)24-15(23)19(25-17(4,5)6)10-9-18-8-7-13(20)12(11-18)14(21)22/h7-8,11H,9-10H2,1-6H3,(H,21,22)
InChIKeyBTYMDXOOMJPACB-UHFFFAOYSA-N
XLogP2.51
TPSA98.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic 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 1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid (CID 87725826) is 1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid is CC(C)(C)OC(=O)N(CCn1ccc(=O)c(C(=O)O)c1)OC(C)(C)C.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is BTYMDXOOMJPACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6/c1-16(2,3)24-15(23)19(25-17(4,5)6)10-9-18-8-7-13(20)12(11-18)14(21)22/h7-8,11H,9-10H2,1-6H3,(H,21,22).
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid?
1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 354.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 87725826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).