methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate

C21H24N2O3 — CID 118176636

IUPACmethyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1(NCc2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1
InChIInChI=1S/C21H24N2O3/c1-23-15-21(12-19(23)24,13-20(25)26-2)22-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,22H,12-15H2,1-2H3
InChIKeyWONWTZANQZHHPK-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.61
Rot. Bonds6

About methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate

methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate (PubChem CID 118176636) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate
PubChem CID118176636
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namemethyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1(NCc2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1
InChIInChI=1S/C21H24N2O3/c1-23-15-21(12-19(23)24,13-20(25)26-2)22-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,22H,12-15H2,1-2H3
InChIKeyWONWTZANQZHHPK-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate (CID 118176636) is methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate is COC(=O)CC1(NCc2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1.
What is the InChIKey of methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate?
The InChIKey is WONWTZANQZHHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-23-15-21(12-19(23)24,13-20(25)26-2)22-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,22H,12-15H2,1-2H3.
What are the key properties of methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate?
methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate has a molecular weight of 352.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate is sourced from PubChem (CID 118176636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).