1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H19N3O4 — CID 106983174

IUPAC1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCOC(=O)c1nccc(N2CCC(C(=O)O)(C(C)C)C2)n1
InChIInChI=1S/C14H19N3O4/c1-9(2)14(13(19)20)5-7-17(8-14)10-4-6-15-11(16-10)12(18)21-3/h4,6,9H,5,7-8H2,1-3H3,(H,19,20)
InChIKeyZWMBJGOEORCNGO-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.20
Rot. Bonds4

About 1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106983174) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106983174
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCOC(=O)c1nccc(N2CCC(C(=O)O)(C(C)C)C2)n1
InChIInChI=1S/C14H19N3O4/c1-9(2)14(13(19)20)5-7-17(8-14)10-4-6-15-11(16-10)12(18)21-3/h4,6,9H,5,7-8H2,1-3H3,(H,19,20)
InChIKeyZWMBJGOEORCNGO-UHFFFAOYSA-N
XLogP1.20
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(3,3-dimethylpiperazin-1-yl)pyrimidine-2-carboxylate
CID 82993874
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid
CID 106983124
1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983041
1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982984
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
CID 115307635
methyl 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pyrimidine-2-carboxylate
CID 66286332
3-[4-(2-methoxycarbonylpyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 66288610
methyl 4-[4-[1-(3,4-dimethylpentanoylamino)cyclopropyl]piperidin-1-yl]pyrimidine-2-carboxylate
CID 138048985
1-(2-methoxycarbonylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290681
1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983097
methyl 4-[4-(azetidin-3-yl)piperazin-1-yl]pyrimidine-2-carboxylate
CID 66287130

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106983174) is 1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is COC(=O)c1nccc(N2CCC(C(=O)O)(C(C)C)C2)n1.
What is the InChIKey of 1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is ZWMBJGOEORCNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(2)14(13(19)20)5-7-17(8-14)10-4-6-15-11(16-10)12(18)21-3/h4,6,9H,5,7-8H2,1-3H3,(H,19,20).
What are the key properties of 1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106983174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).