methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate

C14H26N2O2 — CID 79413832

IUPACmethyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
SMILESCOC(=O)C(C)C(C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-11(14(17)18-3)12(2)16-9-6-13(10-16)15-7-4-5-8-15/h11-13H,4-10H2,1-3H3
InChIKeyIAZFDCVASKCQMT-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.35
Rot. Bonds4

About methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate

methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate (PubChem CID 79413832) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
PubChem CID79413832
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
SMILESCOC(=O)C(C)C(C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-11(14(17)18-3)12(2)16-9-6-13(10-16)15-7-4-5-8-15/h11-13H,4-10H2,1-3H3
InChIKeyIAZFDCVASKCQMT-UHFFFAOYSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide
CID 79408685
methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate
CID 79406986
methyl 2-methyl-3-(3-methylpiperidin-1-yl)butanoate
CID 79406800
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 112626240
methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 55159557
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 79414057
methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103498157
3-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63171314
methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate
CID 115618301
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylbutanoate
CID 115560448
methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate
CID 63170571
3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide
CID 63573609

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate?
The IUPAC name of methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate (CID 79413832) is methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate?
The canonical SMILES for methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate is COC(=O)C(C)C(C)N1CCC(N2CCCC2)C1.
What is the InChIKey of methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate?
The InChIKey is IAZFDCVASKCQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(14(17)18-3)12(2)16-9-6-13(10-16)15-7-4-5-8-15/h11-13H,4-10H2,1-3H3.
What are the key properties of methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate?
methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate has a molecular weight of 254.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 79413832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).