[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate

C15H17ClN2O4 — CID 27508482

IUPAC[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C15H17ClN2O4/c1-8-3-4-10(16)7-12(8)18-14(20)9(2)22-15(21)11-5-6-13(19)17-11/h3-4,7,9,11H,5-6H2,1-2H3,(H,17,19)(H,18,20)/t9-,11-/m1/s1
InChIKeyLAYPOJNWRADDTF-MWLCHTKSSA-N
MW324.76 g/mol
LogP1.80
Rot. Bonds4

About [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate

[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate (PubChem CID 27508482) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate
PubChem CID27508482
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C15H17ClN2O4/c1-8-3-4-10(16)7-12(8)18-14(20)9(2)22-15(21)11-5-6-13(19)17-11/h3-4,7,9,11H,5-6H2,1-2H3,(H,17,19)(H,18,20)/t9-,11-/m1/s1
InChIKeyLAYPOJNWRADDTF-MWLCHTKSSA-N
XLogP1.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
CID 8729837
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 8569468
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46618072
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063158
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8950186
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8999028
[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 11929536
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 8565763
(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 26564189
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 46624173
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 40742791

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate (CID 27508482) is [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate is Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is LAYPOJNWRADDTF-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c1-8-3-4-10(16)7-12(8)18-14(20)9(2)22-15(21)11-5-6-13(19)17-11/h3-4,7,9,11H,5-6H2,1-2H3,(H,17,19)(H,18,20)/t9-,11-/m1/s1.
What are the key properties of [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate?
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 324.76 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 27508482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).