4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid

C18H22N2O5 — CID 119215864

IUPAC4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
SMILESCc1ccc(CN2CC(C(=O)N3CCOCC3C(=O)O)CC2=O)cc1
InChIInChI=1S/C18H22N2O5/c1-12-2-4-13(5-3-12)9-19-10-14(8-16(19)21)17(22)20-6-7-25-11-15(20)18(23)24/h2-5,14-15H,6-11H2,1H3,(H,23,24)
InChIKeyQJVDJGURYHZEMR-UHFFFAOYSA-N
MW346.38 g/mol
LogP0.66
Rot. Bonds4

About 4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid

4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid (PubChem CID 119215864) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
PubChem CID119215864
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
SMILESCc1ccc(CN2CC(C(=O)N3CCOCC3C(=O)O)CC2=O)cc1
InChIInChI=1S/C18H22N2O5/c1-12-2-4-13(5-3-12)9-19-10-14(8-16(19)21)17(22)20-6-7-25-11-15(20)18(23)24/h2-5,14-15H,6-11H2,1H3,(H,23,24)
InChIKeyQJVDJGURYHZEMR-UHFFFAOYSA-N
XLogP0.66
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125119389
(3R)-4-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125419089
4-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 126791996
1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 119137735
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722
(3S)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697232
(3R)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697224
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 119215873
(4S)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 9145709
(4R)-4-[3-(hydroxymethyl)azetidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 97352310
(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125152832

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid (CID 119215864) is 4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid is Cc1ccc(CN2CC(C(=O)N3CCOCC3C(=O)O)CC2=O)cc1.
What is the InChIKey of 4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is QJVDJGURYHZEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-12-2-4-13(5-3-12)9-19-10-14(8-16(19)21)17(22)20-6-7-25-11-15(20)18(23)24/h2-5,14-15H,6-11H2,1H3,(H,23,24).
What are the key properties of 4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 346.38 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119215864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).