4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid

C17H20N2O5 — CID 119239066

IUPAC4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CCO1
InChIInChI=1S/C17H20N2O5/c20-15-8-13(10-19(15)9-12-4-2-1-3-5-12)16(21)18-6-7-24-14(11-18)17(22)23/h1-5,13-14H,6-11H2,(H,22,23)
InChIKeyKFVAEBJVUUOYTK-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.35
Rot. Bonds4

About 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid

4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119239066) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID119239066
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CCO1
InChIInChI=1S/C17H20N2O5/c20-15-8-13(10-19(15)9-12-4-2-1-3-5-12)16(21)18-6-7-24-14(11-18)17(22)23/h1-5,13-14H,6-11H2,(H,22,23)
InChIKeyKFVAEBJVUUOYTK-UHFFFAOYSA-N
XLogP0.35
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 127360135
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 47042743
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580
(2R)-4-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129469151
tert-butyl 4-[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29127771
4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
CID 119239884
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 120997845
1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 119137735

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid (CID 119239066) is 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CCO1.
What is the InChIKey of 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is KFVAEBJVUUOYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-15-8-13(10-19(15)9-12-4-2-1-3-5-12)16(21)18-6-7-24-14(11-18)17(22)23/h1-5,13-14H,6-11H2,(H,22,23).
What are the key properties of 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid?
4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).