1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid

C14H19N3O4 — CID 104595800

IUPAC1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
SMILESCOC(=O)c1nc(C)cc(N2CCCCC2(C)C(=O)O)n1
InChIInChI=1S/C14H19N3O4/c1-9-8-10(16-11(15-9)12(18)21-3)17-7-5-4-6-14(17,2)13(19)20/h8H,4-7H2,1-3H3,(H,19,20)
InChIKeyVEDUMDLTHLJNHT-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.41
Rot. Bonds3

About 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid

1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104595800) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104595800
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
SMILESCOC(=O)c1nc(C)cc(N2CCCCC2(C)C(=O)O)n1
InChIInChI=1S/C14H19N3O4/c1-9-8-10(16-11(15-9)12(18)21-3)17-7-5-4-6-14(17,2)13(19)20/h8H,4-7H2,1-3H3,(H,19,20)
InChIKeyVEDUMDLTHLJNHT-UHFFFAOYSA-N
XLogP1.41
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid (CID 104595800) is 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid is COC(=O)c1nc(C)cc(N2CCCCC2(C)C(=O)O)n1.
What is the InChIKey of 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is VEDUMDLTHLJNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-8-10(16-11(15-9)12(18)21-3)17-7-5-4-6-14(17,2)13(19)20/h8H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid?
1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104595800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).