2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid

C11H20N2O2 — CID 60978434

IUPAC2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
SMILESO=C(O)CN1CCCC(C2CCCN2)C1
InChIInChI=1S/C11H20N2O2/c14-11(15)8-13-6-2-3-9(7-13)10-4-1-5-12-10/h9-10,12H,1-8H2,(H,14,15)
InChIKeyCJJSQALOBPFDAY-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.54
Rot. Bonds3

About 2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid

2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid (PubChem CID 60978434) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
PubChem CID60978434
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
SMILESO=C(O)CN1CCCC(C2CCCN2)C1
InChIInChI=1S/C11H20N2O2/c14-11(15)8-13-6-2-3-9(7-13)10-4-1-5-12-10/h9-10,12H,1-8H2,(H,14,15)
InChIKeyCJJSQALOBPFDAY-UHFFFAOYSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)acetic acid
CID 102682014
4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 60978691
2-[4-(5-methylpiperidin-2-yl)piperidin-1-yl]acetic acid;methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetate;2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
CID 170620680
1-morpholin-4-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 60978297
1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine
CID 66046701
1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine
CID 115328459
N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 60978048
1-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 65213918
1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine
CID 60979508
1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine
CID 54885429
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N,N-dimethylacetamide
CID 102682474
1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine
CID 112703556

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid (CID 60978434) is 2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid is O=C(O)CN1CCCC(C2CCCN2)C1.
What is the InChIKey of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid?
The InChIKey is CJJSQALOBPFDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(15)8-13-6-2-3-9(7-13)10-4-1-5-12-10/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid?
2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid has a molecular weight of 212.29 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 60978434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).