2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid

C13H19N3O2 — CID 116976846

IUPAC2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
SMILESCCCc1cnc(N2CCC(CC(=O)O)C2)nc1
InChIInChI=1S/C13H19N3O2/c1-2-3-11-7-14-13(15-8-11)16-5-4-10(9-16)6-12(17)18/h7-8,10H,2-6,9H2,1H3,(H,17,18)
InChIKeyRMVPQSGQOMLBBF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.73
Rot. Bonds5

About 2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid

2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid (PubChem CID 116976846) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
PubChem CID116976846
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
SMILESCCCc1cnc(N2CCC(CC(=O)O)C2)nc1
InChIInChI=1S/C13H19N3O2/c1-2-3-11-7-14-13(15-8-11)16-5-4-10(9-16)6-12(17)18/h7-8,10H,2-6,9H2,1H3,(H,17,18)
InChIKeyRMVPQSGQOMLBBF-UHFFFAOYSA-N
XLogP1.73
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 135096991
[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methanesulfonic acid
CID 86658031
5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 166613520
1-(5-propylpyrimidin-2-yl)piperidine-4-sulfonic acid
CID 151995167
5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
CID 131998952
2-piperidin-1-yl-5-propylpyrimidine
CID 123831355
formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
CID 154915848
2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 112636156
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
2-[1-(4-cyano-6-methylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 107543051

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid (CID 116976846) is 2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid is CCCc1cnc(N2CCC(CC(=O)O)C2)nc1.
What is the InChIKey of 2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid?
The InChIKey is RMVPQSGQOMLBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-3-11-7-14-13(15-8-11)16-5-4-10(9-16)6-12(17)18/h7-8,10H,2-6,9H2,1H3,(H,17,18).
What are the key properties of 2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid?
2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 116976846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).