3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid

C13H22N2O3 — CID 103868803

IUPAC3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)[C@H]1CCCN1
InChIInChI=1S/C13H22N2O3/c16-12(17)7-6-10-4-1-2-9-15(10)13(18)11-5-3-8-14-11/h10-11,14H,1-9H2,(H,16,17)/t10?,11-/m1/s1
InChIKeyHNTFCSSUENRYSJ-RRKGBCIJSA-N
MW254.33 g/mol
LogP0.98
Rot. Bonds4

About 3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid

3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid (PubChem CID 103868803) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid
PubChem CID103868803
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)[C@H]1CCCN1
InChIInChI=1S/C13H22N2O3/c16-12(17)7-6-10-4-1-2-9-15(10)13(18)11-5-3-8-14-11/h10-11,14H,1-9H2,(H,16,17)/t10?,11-/m1/s1
InChIKeyHNTFCSSUENRYSJ-RRKGBCIJSA-N
XLogP0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-hydroxyethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61149225
(2-propylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 83052563
piperidin-2-yl-(2-propylpiperidin-1-yl)methanone
CID 83053071
(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731
(2-ethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61154160
(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831896
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 62479213
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129359602
3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 106739919

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid (CID 103868803) is 3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)[C@H]1CCCN1.
What is the InChIKey of 3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid?
The InChIKey is HNTFCSSUENRYSJ-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(17)7-6-10-4-1-2-9-15(10)13(18)11-5-3-8-14-11/h10-11,14H,1-9H2,(H,16,17)/t10?,11-/m1/s1.
What are the key properties of 3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid?
3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 103868803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).