methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate

C13H24N2O2 — CID 55159557

IUPACmethyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
SMILESCOC(=O)CC(C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-11(9-13(16)17-2)15-8-5-12(10-15)14-6-3-4-7-14/h11-12H,3-10H2,1-2H3
InChIKeyQMOMAVUFVCCKMB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds4

About methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate

methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate (PubChem CID 55159557) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
PubChem CID55159557
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
SMILESCOC(=O)CC(C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-11(9-13(16)17-2)15-8-5-12(10-15)14-6-3-4-7-14/h11-12H,3-10H2,1-2H3
InChIKeyQMOMAVUFVCCKMB-UHFFFAOYSA-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

methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55159943
methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate
CID 80552988
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170702
ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate
CID 79935337
methyl (3R)-3-pyrrolidin-1-ylbutanoate
CID 93106309
methyl (3S)-3-piperidin-1-ylbutanoate
CID 93106362
methyl 3-(3-methoxypiperidin-1-yl)butanoate
CID 102959580
methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 79413832
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanehydrazide
CID 63584460
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butanoic acid
CID 63150586
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 64705569
ethyl (3R)-1-(4-methoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 113331162

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate?
The IUPAC name of methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate (CID 55159557) is methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate?
The canonical SMILES for methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate is COC(=O)CC(C)N1CCC(N2CCCC2)C1.
What is the InChIKey of methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate?
The InChIKey is QMOMAVUFVCCKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(9-13(16)17-2)15-8-5-12(10-15)14-6-3-4-7-14/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate?
methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate 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-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 55159557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).