methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C13H14ClNO4 — CID 168693481

IUPACmethyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cccc(OC)c2Cl)C1
InChIInChI=1S/C13H14ClNO4/c1-18-10-5-3-4-9(12(10)14)15-7-8(6-11(15)16)13(17)19-2/h3-5,8H,6-7H2,1-2H3
InChIKeyZZMPNRWBJZXODT-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.87
Rot. Bonds3

About methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693481) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168693481
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Namemethyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cccc(OC)c2Cl)C1
InChIInChI=1S/C13H14ClNO4/c1-18-10-5-3-4-9(12(10)14)15-7-8(6-11(15)16)13(17)19-2/h3-5,8H,6-7H2,1-2H3
InChIKeyZZMPNRWBJZXODT-UHFFFAOYSA-N
XLogP1.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693419
methyl 1-(2-fluoro-6-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693531
methyl 1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693415
methyl 1-(5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693467
1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191348
(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124749076
(2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057636
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 168692995
methyl 1-(3-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168695272
benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545638
methyl (3R)-1-(5-amino-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075968

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 168693481) is methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2cccc(OC)c2Cl)C1.
What is the InChIKey of methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is ZZMPNRWBJZXODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-18-10-5-3-4-9(12(10)14)15-7-8(6-11(15)16)13(17)19-2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 283.71 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).