methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate

C15H18N2O4 — CID 45202877

IUPACmethyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-16(10-13(18)21-2)14(19)12-8-9-17(15(12)20)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyJBWYPSBCTKPHPQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.67
Rot. Bonds4

About methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate

methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate (PubChem CID 45202877) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate
PubChem CID45202877
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-16(10-13(18)21-2)14(19)12-8-9-17(15(12)20)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyJBWYPSBCTKPHPQ-UHFFFAOYSA-N
XLogP0.67
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346670
2-[methyl-[2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 119172571
N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 45214416
2-[[1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346411
(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92750576
3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 136516200
3-[[(3S)-1-(3,4-difluorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 125154283
3-[[1-(3,4-difluorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119362406
3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 45227938
3-[[1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 122111716
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92725760
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate (CID 45202877) is methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate is COC(=O)CN(C)C(=O)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate?
The InChIKey is JBWYPSBCTKPHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16(10-13(18)21-2)14(19)12-8-9-17(15(12)20)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3.
What are the key properties of methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate?
methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate has a molecular weight of 290.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate is sourced from PubChem (CID 45202877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).