ethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate

C17H21ClN2O4 — CID 46363722

IUPACethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1(C)CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O4/c1-3-24-15(22)10-19-16(23)17(2)9-8-14(21)20(17)11-12-6-4-5-7-13(12)18/h4-7H,3,8-11H2,1-2H3,(H,19,23)
InChIKeyMUJHGRQSFQTWNQ-UHFFFAOYSA-N
MW352.82 g/mol
LogP1.90
Rot. Bonds6

About ethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate

ethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate (PubChem CID 46363722) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is ethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate
PubChem CID46363722
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC Nameethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1(C)CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O4/c1-3-24-15(22)10-19-16(23)17(2)9-8-14(21)20(17)11-12-6-4-5-7-13(12)18/h4-7H,3,8-11H2,1-2H3,(H,19,23)
InChIKeyMUJHGRQSFQTWNQ-UHFFFAOYSA-N
XLogP1.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate (CID 46363722) is ethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate is CCOC(=O)CNC(=O)C1(C)CCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of ethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate?
The InChIKey is MUJHGRQSFQTWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c1-3-24-15(22)10-19-16(23)17(2)9-8-14(21)20(17)11-12-6-4-5-7-13(12)18/h4-7H,3,8-11H2,1-2H3,(H,19,23).
What are the key properties of ethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate?
ethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate has a molecular weight of 352.82 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 46363722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).