3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid

C15H27N3O3 — CID 106021300

IUPAC3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
SMILESCN1CCCC1CNC(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C15H27N3O3/c1-17-9-4-6-13(17)11-16-15(21)18-10-3-2-5-12(18)7-8-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyJOQVSDXDOPDTPK-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.51
Rot. Bonds5

About 3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid

3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 106021300) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
PubChem CID106021300
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
SMILESCN1CCCC1CNC(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C15H27N3O3/c1-17-9-4-6-13(17)11-16-15(21)18-10-3-2-5-12(18)7-8-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyJOQVSDXDOPDTPK-UHFFFAOYSA-N
XLogP1.51
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63705736
3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62209945
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
3-[1-(2-methoxypropylcarbamoyl)piperidin-2-yl]propanoic acid
CID 102699661
3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62216383
2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid
CID 106020947
3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
CID 61194702
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 114943422
3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62980664
3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 113485751
3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62211691

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid (CID 106021300) is 3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid is CN1CCCC1CNC(=O)N1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is JOQVSDXDOPDTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-17-9-4-6-13(17)11-16-15(21)18-10-3-2-5-12(18)7-8-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid?
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 106021300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).