methyl 2,2-dipyrrolidin-1-ylacetate

C11H20N2O2 — CID 132553611

IUPACmethyl 2,2-dipyrrolidin-1-ylacetate
SMILESCOC(=O)C(N1CCCC1)N1CCCC1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)10(12-6-2-3-7-12)13-8-4-5-9-13/h10H,2-9H2,1H3
InChIKeyUSIGBDVJFGQDNV-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.68
Rot. Bonds3

About methyl 2,2-dipyrrolidin-1-ylacetate

methyl 2,2-dipyrrolidin-1-ylacetate (PubChem CID 132553611) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 2,2-dipyrrolidin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2,2-dipyrrolidin-1-ylacetate
PubChem CID132553611
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 2,2-dipyrrolidin-1-ylacetate
SMILESCOC(=O)C(N1CCCC1)N1CCCC1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)10(12-6-2-3-7-12)13-8-4-5-9-13/h10H,2-9H2,1H3
InChIKeyUSIGBDVJFGQDNV-UHFFFAOYSA-N
XLogP0.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-2-pyrrolidin-1-ylbutanoate
CID 43866498
methyl 2-methoxy-2-piperidin-1-ylacetate
CID 57327649
methyl (2R)-3-amino-2-piperidin-1-ylpropanoate
CID 86664944
dimethyl 2-pyrrolidin-1-ylbutanedioate
CID 4892838
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
methyl 4-hydroxy-2-piperidin-1-ylbutanoate
CID 105453618
methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate
CID 102294238
methyl 2-(2-bromophenyl)-2-pyrrolidin-1-ylacetate
CID 116860558
2,2-bis(azepan-1-yl)acetic acid
CID 68690871
methyl (3R)-3-pyrrolidin-1-ylbutanoate
CID 93106309
methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate
CID 116860455
methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate
CID 116860560

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dipyrrolidin-1-ylacetate?
The IUPAC name of methyl 2,2-dipyrrolidin-1-ylacetate (CID 132553611) is methyl 2,2-dipyrrolidin-1-ylacetate.
What is the SMILES notation for methyl 2,2-dipyrrolidin-1-ylacetate?
The canonical SMILES for methyl 2,2-dipyrrolidin-1-ylacetate is COC(=O)C(N1CCCC1)N1CCCC1.
What is the InChIKey of methyl 2,2-dipyrrolidin-1-ylacetate?
The InChIKey is USIGBDVJFGQDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-11(14)10(12-6-2-3-7-12)13-8-4-5-9-13/h10H,2-9H2,1H3.
What are the key properties of methyl 2,2-dipyrrolidin-1-ylacetate?
methyl 2,2-dipyrrolidin-1-ylacetate has a molecular weight of 212.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dipyrrolidin-1-ylacetate is sourced from PubChem (CID 132553611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).