[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate

C19H23ClN2O5 — CID 51492511

IUPAC[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
SMILESC[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(=O)N1CCOCC1
InChIInChI=1S/C19H23ClN2O5/c1-13(18(24)21-6-8-26-9-7-21)27-19(25)15-10-17(23)22(12-15)11-14-4-2-3-5-16(14)20/h2-5,13,15H,6-12H2,1H3/t13-,15+/m0/s1
InChIKeyIWQHCDJAHSXZQU-DZGCQCFKSA-N
MW394.86 g/mol
LogP1.48
Rot. Bonds5

About [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate

[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 51492511) has the molecular formula C19H23ClN2O5 and a molecular weight of 394.86 g/mol. Its IUPAC name is [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID51492511
Molecular FormulaC19H23ClN2O5
Molecular Weight394.86 g/mol
Exact Mass394.13
IUPAC Name[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
SMILESC[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(=O)N1CCOCC1
InChIInChI=1S/C19H23ClN2O5/c1-13(18(24)21-6-8-26-9-7-21)27-19(25)15-10-17(23)22(12-15)11-14-4-2-3-5-16(14)20/h2-5,13,15H,6-12H2,1H3/t13-,15+/m0/s1
InChIKeyIWQHCDJAHSXZQU-DZGCQCFKSA-N
XLogP1.48
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] (3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 8578635
[(1S)-1-cyanoethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798583
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798612
[(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 98701392
methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 168694285
1-[(2-chlorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113183633
1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42653481
[2-(N-methylanilino)-2-oxoethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798640
N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78756753
(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8701516
(2-cyanophenyl)methyl (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 8509589
(2-cyanophenyl)methyl (3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 8509591

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate (CID 51492511) is [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate is C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(=O)N1CCOCC1.
What is the InChIKey of [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is IWQHCDJAHSXZQU-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H23ClN2O5/c1-13(18(24)21-6-8-26-9-7-21)27-19(25)15-10-17(23)22(12-15)11-14-4-2-3-5-16(14)20/h2-5,13,15H,6-12H2,1H3/t13-,15+/m0/s1.
What are the key properties of [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 394.86 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 51492511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).