methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate

C8H15NO3 — CID 59511362

IUPACmethyl 3-(methoxymethyl)pyrrolidine-3-carboxylate
SMILESCOCC1(C(=O)OC)CCNC1
InChIInChI=1S/C8H15NO3/c1-11-6-8(7(10)12-2)3-4-9-5-8/h9H,3-6H2,1-2H3
InChIKeyCDHPYWUCTLWZFU-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.21
Rot. Bonds3

About methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate

methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate (PubChem CID 59511362) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methoxymethyl)pyrrolidine-3-carboxylate
PubChem CID59511362
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 3-(methoxymethyl)pyrrolidine-3-carboxylate
SMILESCOCC1(C(=O)OC)CCNC1
InChIInChI=1S/C8H15NO3/c1-11-6-8(7(10)12-2)3-4-9-5-8/h9H,3-6H2,1-2H3
InChIKeyCDHPYWUCTLWZFU-UHFFFAOYSA-N
XLogP-0.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-methylpyrrolidine-3-carboxylate
CID 58201304
Ethyl 3-methyl-2-oxopyrrolidine-3-carboxylate
CID 12677530
Ethyl pyrrolidine-3-carboxylate
CID 12896002
Methyl 3-methyl-2-oxopyrrolidine-3-carboxylate
CID 83670610
Methyl Pyrrolidine-3-carboxylate
CID 4114360
Ethyl 3-methylpyrrolidine-3-carboxylate hydrochloride
CID 71756654
Methyl 4,4-dimethylpyrrolidine-3-carboxylate hydrochloride
CID 118991678
3-(Methoxymethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 122163578
rac-methyl (3R,4R)-3,4-dimethylpyrrolidine-3-carboxylate
CID 124706300
Tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate
CID 130571831
3,3-Dimethyl pyrrolidine-3,3-dicarboxylate hydrochloride
CID 145874829
(S)-Methyl pyrrolidine-3-carboxylate
CID 1512682

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate (CID 59511362) is methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate is COCC1(C(=O)OC)CCNC1.
What is the InChIKey of methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate?
The InChIKey is CDHPYWUCTLWZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-6-8(7(10)12-2)3-4-9-5-8/h9H,3-6H2,1-2H3.
What are the key properties of methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate?
methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 59511362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).