methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate

C11H19NO4 — CID 117168874

IUPACmethyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate
SMILESCOC(=O)CC1COC(C)(C2CCCN2)O1
InChIInChI=1S/C11H19NO4/c1-11(9-4-3-5-12-9)15-7-8(16-11)6-10(13)14-2/h8-9,12H,3-7H2,1-2H3
InChIKeyOTGVMGIICWDJDU-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.43
Rot. Bonds3

About methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate

methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate (PubChem CID 117168874) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate
PubChem CID117168874
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate
SMILESCOC(=O)CC1COC(C)(C2CCCN2)O1
InChIInChI=1S/C11H19NO4/c1-11(9-4-3-5-12-9)15-7-8(16-11)6-10(13)14-2/h8-9,12H,3-7H2,1-2H3
InChIKeyOTGVMGIICWDJDU-UHFFFAOYSA-N
XLogP0.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate
CID 117168377
methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate
CID 117169751
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid
CID 117170091
methyl 2-[2-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]acetate
CID 117169995
methyl 2-[2-methyl-2-(2-methylphenyl)-1,3-dioxolan-4-yl]acetate
CID 117169919
methyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate
CID 85404971
ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
methyl 2-(azocan-2-yl)acetate
CID 86040521
methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate
CID 129359429
methyl 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 11253244
methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate
CID 117169502
methyl 2-(9-formyl-6,10-dioxaspiro[4.5]decan-7-yl)acetate
CID 134474645

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate (CID 117168874) is methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate is COC(=O)CC1COC(C)(C2CCCN2)O1.
What is the InChIKey of methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate?
The InChIKey is OTGVMGIICWDJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(9-4-3-5-12-9)15-7-8(16-11)6-10(13)14-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate?
methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate has a molecular weight of 229.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate is sourced from PubChem (CID 117168874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).