methyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate

C15H17Cl2NO5 — CID 91624729

IUPACmethyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO5/c1-21-10-6-12(15(20)22-2)18(7-10)14(19)8-23-13-4-3-9(16)5-11(13)17/h3-5,10,12H,6-8H2,1-2H3
InChIKeyVTSGVQKJVXDISU-UHFFFAOYSA-N
MW362.21 g/mol
LogP2.16
Rot. Bonds5

About methyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate

methyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate (PubChem CID 91624729) has the molecular formula C15H17Cl2NO5 and a molecular weight of 362.21 g/mol. Its IUPAC name is methyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate
PubChem CID91624729
Molecular FormulaC15H17Cl2NO5
Molecular Weight362.21 g/mol
Exact Mass361.05
IUPAC Namemethyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO5/c1-21-10-6-12(15(20)22-2)18(7-10)14(19)8-23-13-4-3-9(16)5-11(13)17/h3-5,10,12H,6-8H2,1-2H3
InChIKeyVTSGVQKJVXDISU-UHFFFAOYSA-N
XLogP2.16
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate (CID 91624729) is methyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate is COC(=O)C1CC(OC)CN1C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate?
The InChIKey is VTSGVQKJVXDISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO5/c1-21-10-6-12(15(20)22-2)18(7-10)14(19)8-23-13-4-3-9(16)5-11(13)17/h3-5,10,12H,6-8H2,1-2H3.
What are the key properties of methyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate?
methyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate has a molecular weight of 362.21 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,4-dichlorophenoxy)acetyl]-4-methoxypyrrolidine-2-carboxylate is sourced from PubChem (CID 91624729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).