methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate

C13H13ClN2O4 — CID 710173

IUPACmethyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
SMILESCOC(=O)CN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C13H13ClN2O4/c1-20-12(18)7-15-10-6-11(17)16(13(10)19)9-4-2-8(14)3-5-9/h2-5,10,15H,6-7H2,1H3/t10-/m0/s1
InChIKeyFQTIOWHXHMZKNP-JTQLQIEISA-N
MW296.71 g/mol
LogP0.73
Rot. Bonds4

About methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate

methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate (PubChem CID 710173) has the molecular formula C13H13ClN2O4 and a molecular weight of 296.71 g/mol. Its IUPAC name is methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
PubChem CID710173
Molecular FormulaC13H13ClN2O4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC Namemethyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
SMILESCOC(=O)CN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C13H13ClN2O4/c1-20-12(18)7-15-10-6-11(17)16(13(10)19)9-4-2-8(14)3-5-9/h2-5,10,15H,6-7H2,1H3/t10-/m0/s1
InChIKeyFQTIOWHXHMZKNP-JTQLQIEISA-N
XLogP0.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710148
methyl 4-[(3R)-3-[(2-methoxy-2-oxoethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 699190
methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 2872639
methyl 4-[3-[(4-chlorophenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 2937003
(3R)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylamino]pyrrolidine-2,5-dione
CID 683439
[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium
CID 4073531
methyl 2-[[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetate
CID 2937026
4-chloro-N-[2-[[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzamide
CID 2936381
N-[4-[(3S)-3-[2-(4-chlorophenyl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1166734
(3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione
CID 671547
3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2877398
methyl 4-[(3R)-3-(cyclopropylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 96838018

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate?
The IUPAC name of methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate (CID 710173) is methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate?
The canonical SMILES for methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate is COC(=O)CN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate?
The InChIKey is FQTIOWHXHMZKNP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13ClN2O4/c1-20-12(18)7-15-10-6-11(17)16(13(10)19)9-4-2-8(14)3-5-9/h2-5,10,15H,6-7H2,1H3/t10-/m0/s1.
What are the key properties of methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate?
methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate has a molecular weight of 296.71 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate is sourced from PubChem (CID 710173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).