1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid

C13H19N3O3 — CID 55166350

IUPAC1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nccc(OC)n2)C1
InChIInChI=1S/C13H19N3O3/c1-3-5-13(11(17)18)6-8-16(9-13)12-14-7-4-10(15-12)19-2/h4,7H,3,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyNSYHJXOKTZAPNB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.57
Rot. Bonds5

About 1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid

1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 55166350) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID55166350
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nccc(OC)n2)C1
InChIInChI=1S/C13H19N3O3/c1-3-5-13(11(17)18)6-8-16(9-13)12-14-7-4-10(15-12)19-2/h4,7H,3,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyNSYHJXOKTZAPNB-UHFFFAOYSA-N
XLogP1.57
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 63136313
1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 115354743
1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 64829459
(3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol
CID 155506237
3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451
1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147166
1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983041
1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166159
(5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97130596
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 63987109
7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 140585780

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid (CID 55166350) is 1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(c2nccc(OC)n2)C1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is NSYHJXOKTZAPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-5-13(11(17)18)6-8-16(9-13)12-14-7-4-10(15-12)19-2/h4,7H,3,5-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55166350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).