methyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate

C16H21NO5 — CID 91624710

IUPACmethyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H21NO5/c1-20-12-6-4-5-11(7-12)8-15(18)17-10-13(21-2)9-14(17)16(19)22-3/h4-7,13-14H,8-10H2,1-3H3
InChIKeyGBSSZGLEPYKLBF-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.03
Rot. Bonds5

About methyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate

methyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 91624710) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate
PubChem CID91624710
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namemethyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H21NO5/c1-20-12-6-4-5-11(7-12)8-15(18)17-10-13(21-2)9-14(17)16(19)22-3/h4-7,13-14H,8-10H2,1-3H3
InChIKeyGBSSZGLEPYKLBF-UHFFFAOYSA-N
XLogP1.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate (CID 91624710) is methyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(OC)CN1C(=O)Cc1cccc(OC)c1.
What is the InChIKey of methyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is GBSSZGLEPYKLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-20-12-6-4-5-11(7-12)8-15(18)17-10-13(21-2)9-14(17)16(19)22-3/h4-7,13-14H,8-10H2,1-3H3.
What are the key properties of methyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate?
methyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 91624710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).