3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid

C15H27N3O3 — CID 83017879

IUPAC3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid
SMILESCC1CCCC(C)N1NC(=O)N1CCC(CCC(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-11-4-3-5-12(2)18(11)16-15(21)17-9-8-13(10-17)6-7-14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyWFWHCERONNMIOX-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.06
Rot. Bonds4

About 3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid

3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid (PubChem CID 83017879) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid
PubChem CID83017879
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid
SMILESCC1CCCC(C)N1NC(=O)N1CCC(CCC(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-11-4-3-5-12(2)18(11)16-15(21)17-9-8-13(10-17)6-7-14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyWFWHCERONNMIOX-UHFFFAOYSA-N
XLogP2.06
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114679445
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 55071819
3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid
CID 106191160
3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799133
3-[1-(2-propan-2-yloxyethylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 104763771
3-[1-(4-methylsulfanylbutylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 113488067
3-[1-[1-(dimethylamino)propan-2-ylcarbamoyl]piperidin-3-yl]propanoic acid
CID 82938050
3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid
CID 83024199
3-[1-(hex-5-yn-3-ylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 113477996
3-[1-[2-(cyclopenten-1-yl)ethylcarbamoyl]pyrrolidin-3-yl]propanoic acid
CID 106178480

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid (CID 83017879) is 3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid is CC1CCCC(C)N1NC(=O)N1CCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid?
The InChIKey is WFWHCERONNMIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-4-3-5-12(2)18(11)16-15(21)17-9-8-13(10-17)6-7-14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid?
3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 83017879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).