3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid

C10H15NO2 — CID 166768499

IUPAC3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid
SMILESCC(C)C1=NCC(C)C(C(=O)O)=C1
InChIInChI=1S/C10H15NO2/c1-6(2)9-4-8(10(12)13)7(3)5-11-9/h4,6-7H,5H2,1-3H3,(H,12,13)
InChIKeyOHBBPZUNDHISKT-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.74
Rot. Bonds2

About 3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid

3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid (PubChem CID 166768499) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid
PubChem CID166768499
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid
SMILESCC(C)C1=NCC(C)C(C(=O)O)=C1
InChIInChI=1S/C10H15NO2/c1-6(2)9-4-8(10(12)13)7(3)5-11-9/h4,6-7H,5H2,1-3H3,(H,12,13)
InChIKeyOHBBPZUNDHISKT-UHFFFAOYSA-N
XLogP1.74
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid?
The IUPAC name of 3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid (CID 166768499) is 3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid?
The canonical SMILES for 3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid is CC(C)C1=NCC(C)C(C(=O)O)=C1.
What is the InChIKey of 3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid?
The InChIKey is OHBBPZUNDHISKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6(2)9-4-8(10(12)13)7(3)5-11-9/h4,6-7H,5H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid?
3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid has a molecular weight of 181.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-2,3-dihydropyridine-4-carboxylic acid is sourced from PubChem (CID 166768499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).