4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid

C10H13NO4 — CID 19889148

IUPAC4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid
SMILESCC(C)OC(=O)C1=C(C(=O)O)CNC=C1
InChIInChI=1S/C10H13NO4/c1-6(2)15-10(14)7-3-4-11-5-8(7)9(12)13/h3-4,6,11H,5H2,1-2H3,(H,12,13)
InChIKeyROEZNSSARZDMNV-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.44
Rot. Bonds3

About 4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid

4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid (PubChem CID 19889148) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid
PubChem CID19889148
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid
SMILESCC(C)OC(=O)C1=C(C(=O)O)CNC=C1
InChIInChI=1S/C10H13NO4/c1-6(2)15-10(14)7-3-4-11-5-8(7)9(12)13/h3-4,6,11H,5H2,1-2H3,(H,12,13)
InChIKeyROEZNSSARZDMNV-UHFFFAOYSA-N
XLogP0.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid?
The IUPAC name of 4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid (CID 19889148) is 4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid is CC(C)OC(=O)C1=C(C(=O)O)CNC=C1.
What is the InChIKey of 4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid?
The InChIKey is ROEZNSSARZDMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6(2)15-10(14)7-3-4-11-5-8(7)9(12)13/h3-4,6,11H,5H2,1-2H3,(H,12,13).
What are the key properties of 4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid?
4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxycarbonyl-1,2-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 19889148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).