methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate

C15H17ClN2O4 — CID 9351959

IUPACmethyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H17ClN2O4/c1-9-3-4-11(6-12(9)16)18-8-10(5-13(18)19)15(21)17-7-14(20)22-2/h3-4,6,10H,5,7-8H2,1-2H3,(H,17,21)/t10-/m0/s1
InChIKeyKGZZJYVDOUUPEH-JTQLQIEISA-N
MW324.76 g/mol
LogP1.29
Rot. Bonds4

About methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate

methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate (PubChem CID 9351959) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
PubChem CID9351959
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Namemethyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H17ClN2O4/c1-9-3-4-11(6-12(9)16)18-8-10(5-13(18)19)15(21)17-7-14(20)22-2/h3-4,6,10H,5,7-8H2,1-2H3,(H,17,21)/t10-/m0/s1
InChIKeyKGZZJYVDOUUPEH-JTQLQIEISA-N
XLogP1.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate with MolForge

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Related Compounds

(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 9351944
(3R)-N-tert-butyl-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438206
(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501
3-[[(3R)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl-dimethylazanium
CID 9351895
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109483
methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate
CID 45492118
(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075786
1-(3-chloro-4-methylphenyl)-N-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187806
1-(3-chloro-4-methylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
CID 17080821
1-(3-chloro-4-methylphenyl)-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 84987956
1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 6462969
1-(3-chloro-4-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187821

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate (CID 9351959) is methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate is COC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1.
What is the InChIKey of methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate?
The InChIKey is KGZZJYVDOUUPEH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17ClN2O4/c1-9-3-4-11(6-12(9)16)18-8-10(5-13(18)19)15(21)17-7-14(20)22-2/h3-4,6,10H,5,7-8H2,1-2H3,(H,17,21)/t10-/m0/s1.
What are the key properties of methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate?
methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate has a molecular weight of 324.76 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 9351959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).