[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate

C19H24ClN3O5 — CID 8509605

IUPAC[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
SMILESCCCNC(=O)CNC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C19H24ClN3O5/c1-2-7-21-16(24)9-22-17(25)12-28-19(27)14-8-18(26)23(11-14)10-13-5-3-4-6-15(13)20/h3-6,14H,2,7-12H2,1H3,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyGZYOTYXYMQWWEF-CQSZACIVSA-N
MW409.87 g/mol
LogP0.87
Rot. Bonds9

About [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate

[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 8509605) has the molecular formula C19H24ClN3O5 and a molecular weight of 409.87 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID8509605
Molecular FormulaC19H24ClN3O5
Molecular Weight409.87 g/mol
Exact Mass409.14
IUPAC Name[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
SMILESCCCNC(=O)CNC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C19H24ClN3O5/c1-2-7-21-16(24)9-22-17(25)12-28-19(27)14-8-18(26)23(11-14)10-13-5-3-4-6-15(13)20/h3-6,14H,2,7-12H2,1H3,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyGZYOTYXYMQWWEF-CQSZACIVSA-N
XLogP0.87
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798704
[2-oxo-2-(prop-2-ynylamino)ethyl] (3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 8509603
(2-anilino-2-oxoethyl) (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798677
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798565
(2-benzamido-2-oxoethyl) (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798567
[2-(2,4-dimethylanilino)-2-oxoethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798689
[2-(N-methylanilino)-2-oxoethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798640
[2-(2,5-dimethylphenyl)-2-oxoethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798516
[2-(4-ethoxyphenyl)-2-oxoethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798500
[2-(4-methoxyphenyl)-2-oxoethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798617
1-[(2-chlorophenyl)methyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113183631
(2-cyanophenyl)methyl (3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 8509591

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate (CID 8509605) is [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate is CCCNC(=O)CNC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is GZYOTYXYMQWWEF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24ClN3O5/c1-2-7-21-16(24)9-22-17(25)12-28-19(27)14-8-18(26)23(11-14)10-13-5-3-4-6-15(13)20/h3-6,14H,2,7-12H2,1H3,(H,21,24)(H,22,25)/t14-/m1/s1.
What are the key properties of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 409.87 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 8509605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).