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

C12H15N3O4 — CID 66290680

IUPAC1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCOC(=O)c1nc(C)cc(N2CCCC2C(=O)O)n1
InChIInChI=1S/C12H15N3O4/c1-7-6-9(14-10(13-7)12(18)19-2)15-5-3-4-8(15)11(16)17/h6,8H,3-5H2,1-2H3,(H,16,17)
InChIKeyBAJRQOQPNYELCX-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.63
Rot. Bonds3

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

1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 66290680) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID66290680
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCOC(=O)c1nc(C)cc(N2CCCC2C(=O)O)n1
InChIInChI=1S/C12H15N3O4/c1-7-6-9(14-10(13-7)12(18)19-2)15-5-3-4-8(15)11(16)17/h6,8H,3-5H2,1-2H3,(H,16,17)
InChIKeyBAJRQOQPNYELCX-UHFFFAOYSA-N
XLogP0.63
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.63
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)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 66290680) is 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is COC(=O)c1nc(C)cc(N2CCCC2C(=O)O)n1.
What is the InChIKey of 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is BAJRQOQPNYELCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-6-9(14-10(13-7)12(18)19-2)15-5-3-4-8(15)11(16)17/h6,8H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.63, 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)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66290680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).