3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid

C12H22N2O2 — CID 95599765

IUPAC3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C12H22N2O2/c15-12(16)5-9-13-6-3-4-11(10-13)14-7-1-2-8-14/h11H,1-10H2,(H,15,16)/t11-/m1/s1
InChIKeyIDSURNZLXAESTA-LLVKDONJSA-N
MW226.32 g/mol
LogP1.02
Rot. Bonds4

About 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid

3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid (PubChem CID 95599765) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
PubChem CID95599765
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C12H22N2O2/c15-12(16)5-9-13-6-3-4-11(10-13)14-7-1-2-8-14/h11H,1-10H2,(H,15,16)/t11-/m1/s1
InChIKeyIDSURNZLXAESTA-LLVKDONJSA-N
XLogP1.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid
CID 84755522
methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate
CID 95154053
3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propanoic acid
CID 80553786
3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 56803567
3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid
CID 84755515
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63171229
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
3-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]propanoic acid
CID 102549085
3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid
CID 121200949
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-2-one
CID 79943262
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-phenylbutan-1-one
CID 63151034

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid?
The IUPAC name of 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid (CID 95599765) is 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid is O=C(O)CCN1CCC[C@@H](N2CCCC2)C1.
What is the InChIKey of 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid?
The InChIKey is IDSURNZLXAESTA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(16)5-9-13-6-3-4-11(10-13)14-7-1-2-8-14/h11H,1-10H2,(H,15,16)/t11-/m1/s1.
What are the key properties of 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid?
3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid has a molecular weight of 226.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid is sourced from PubChem (CID 95599765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).