methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate

C13H24N2O2 — CID 95154053

IUPACmethyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-17-13(16)6-10-14-7-4-5-12(11-14)15-8-2-3-9-15/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyAFZBHWRHQPRWDO-GFCCVEGCSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds4

About methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate

methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate (PubChem CID 95154053) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate
PubChem CID95154053
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-17-13(16)6-10-14-7-4-5-12(11-14)15-8-2-3-9-15/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyAFZBHWRHQPRWDO-GFCCVEGCSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
CID 95599765
methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
CID 60745212
tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 115618197
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate
CID 66197137
methyl 2-amino-4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylbutanoate
CID 63151003
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid
CID 84755522
methyl 4-(3-piperazin-1-ylpyrrolidin-1-yl)butanoate
CID 112739454
3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 56803567
2-[2-(2-methoxyethoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79885800
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-2-one
CID 79943262

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate (CID 95154053) is methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate is COC(=O)CCN1CCC[C@@H](N2CCCC2)C1.
What is the InChIKey of methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate?
The InChIKey is AFZBHWRHQPRWDO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-13(16)6-10-14-7-4-5-12(11-14)15-8-2-3-9-15/h12H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate?
methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate has a molecular weight of 240.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate is sourced from PubChem (CID 95154053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).