methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate

C13H14ClNO4 — CID 23960179

IUPACmethyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(OCc2ccccc2Cl)C1
InChIInChI=1S/C13H14ClNO4/c1-18-13(17)10-6-12(16)15(7-10)19-8-9-4-2-3-5-11(9)14/h2-5,10H,6-8H2,1H3
InChIKeyIFJRWAHHEKAMAE-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.79
Rot. Bonds4

About methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate

methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate (PubChem CID 23960179) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate
PubChem CID23960179
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Namemethyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(OCc2ccccc2Cl)C1
InChIInChI=1S/C13H14ClNO4/c1-18-13(17)10-6-12(16)15(7-10)19-8-9-4-2-3-5-11(9)14/h2-5,10H,6-8H2,1H3
InChIKeyIFJRWAHHEKAMAE-UHFFFAOYSA-N
XLogP1.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)methyl (3R)-1-(4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1218871
(2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19615215
(2-chlorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 952072
methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693497
methyl 1-(2-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694855
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] (3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 8578635
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
methyl 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694167
methyl 1-(2-chloro-6-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693366
3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid
CID 168692745
methyl (3S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 91664291
methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693481

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate (CID 23960179) is methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(OCc2ccccc2Cl)C1.
What is the InChIKey of methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is IFJRWAHHEKAMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-18-13(17)10-6-12(16)15(7-10)19-8-9-4-2-3-5-11(9)14/h2-5,10H,6-8H2,1H3.
What are the key properties of methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate?
methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 283.71 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 23960179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).