methyl 2-(3-methoxypyrrolidin-1-yl)acetate

C8H15NO3 — CID 103535132

IUPACmethyl 2-(3-methoxypyrrolidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(OC)C1
InChIInChI=1S/C8H15NO3/c1-11-7-3-4-9(5-7)6-8(10)12-2/h7H,3-6H2,1-2H3
InChIKeyIZPDPSNXRGXNKQ-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.12
Rot. Bonds3

About methyl 2-(3-methoxypyrrolidin-1-yl)acetate

methyl 2-(3-methoxypyrrolidin-1-yl)acetate (PubChem CID 103535132) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-(3-methoxypyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methoxypyrrolidin-1-yl)acetate
PubChem CID103535132
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-(3-methoxypyrrolidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(OC)C1
InChIInChI=1S/C8H15NO3/c1-11-7-3-4-9(5-7)6-8(10)12-2/h7H,3-6H2,1-2H3
InChIKeyIZPDPSNXRGXNKQ-UHFFFAOYSA-N
XLogP-0.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 130725600
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
methyl 4-(3-methoxypyrrolidin-1-yl)butanoate
CID 103535204
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 115648226
methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate
CID 67713903
methyl 2-(4-bromopiperidin-1-yl)acetate
CID 156858791
2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 130708427
methyl 2-(4-amino-3-ethylpiperidin-1-yl)acetate
CID 81460463
ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate
CID 176667443
2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103537423

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxypyrrolidin-1-yl)acetate?
The IUPAC name of methyl 2-(3-methoxypyrrolidin-1-yl)acetate (CID 103535132) is methyl 2-(3-methoxypyrrolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-methoxypyrrolidin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-methoxypyrrolidin-1-yl)acetate is COC(=O)CN1CCC(OC)C1.
What is the InChIKey of methyl 2-(3-methoxypyrrolidin-1-yl)acetate?
The InChIKey is IZPDPSNXRGXNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-7-3-4-9(5-7)6-8(10)12-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 2-(3-methoxypyrrolidin-1-yl)acetate?
methyl 2-(3-methoxypyrrolidin-1-yl)acetate has a molecular weight of 173.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxypyrrolidin-1-yl)acetate is sourced from PubChem (CID 103535132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).