3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid

C19H23N3O2 — CID 132764003

IUPAC3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid
SMILESCc1nc(CCC(=O)O)cc(C2CCCN2Cc2ccccc2)n1
InChIInChI=1S/C19H23N3O2/c1-14-20-16(9-10-19(23)24)12-17(21-14)18-8-5-11-22(18)13-15-6-3-2-4-7-15/h2-4,6-7,12,18H,5,8-11,13H2,1H3,(H,23,24)
InChIKeyNZBOFIGAWGNVGH-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.14
Rot. Bonds6

About 3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid

3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid (PubChem CID 132764003) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid
PubChem CID132764003
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid
SMILESCc1nc(CCC(=O)O)cc(C2CCCN2Cc2ccccc2)n1
InChIInChI=1S/C19H23N3O2/c1-14-20-16(9-10-19(23)24)12-17(21-14)18-8-5-11-22(18)13-15-6-3-2-4-7-15/h2-4,6-7,12,18H,5,8-11,13H2,1H3,(H,23,24)
InChIKeyNZBOFIGAWGNVGH-UHFFFAOYSA-N
XLogP3.14
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methyl-6-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]propanoic acid
CID 110256794
3-[6-methyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
CID 125025999
2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 124954262
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820339
3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 110258268
3-[2-methyl-6-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanoic acid
CID 95827377
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070
3-[2-methyl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-4-yl]propanoic acid
CID 110256796
3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide
CID 95826823
3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide
CID 95827338
4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid?
The IUPAC name of 3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid (CID 132764003) is 3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid?
The canonical SMILES for 3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid is Cc1nc(CCC(=O)O)cc(C2CCCN2Cc2ccccc2)n1.
What is the InChIKey of 3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid?
The InChIKey is NZBOFIGAWGNVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-20-16(9-10-19(23)24)12-17(21-14)18-8-5-11-22(18)13-15-6-3-2-4-7-15/h2-4,6-7,12,18H,5,8-11,13H2,1H3,(H,23,24).
What are the key properties of 3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid?
3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid is sourced from PubChem (CID 132764003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).