benzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate

C14H19NO3 — CID 46945504

IUPACbenzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-17-11-13-8-5-9-15(13)14(16)18-10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyWBEPKDHXPRWQOO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.43
Rot. Bonds4

About benzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate

benzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 46945504) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID46945504
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-17-11-13-8-5-9-15(13)14(16)18-10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyWBEPKDHXPRWQOO-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate (CID 46945504) is benzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate is COCC1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is WBEPKDHXPRWQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-11-13-8-5-9-15(13)14(16)18-10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3.
What are the key properties of benzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate?
benzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 46945504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).