2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid

C19H24N2O5 — CID 119248281

IUPAC2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(CN2C(=O)CCC2C(=O)N2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C19H24N2O5/c1-13-2-4-14(5-3-13)11-21-16(6-7-17(21)22)19(25)20-8-9-26-15(12-20)10-18(23)24/h2-5,15-16H,6-12H2,1H3,(H,23,24)
InChIKeyVEHCIBRVUWVHBH-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.19
Rot. Bonds5

About 2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid

2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119248281) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119248281
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(CN2C(=O)CCC2C(=O)N2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C19H24N2O5/c1-13-2-4-14(5-3-13)11-21-16(6-7-17(21)22)19(25)20-8-9-26-15(12-20)10-18(23)24/h2-5,15-16H,6-12H2,1H3,(H,23,24)
InChIKeyVEHCIBRVUWVHBH-UHFFFAOYSA-N
XLogP1.19
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697321
1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110631322
1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110629818
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866
2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119247976
(3aS,6aR)-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683266
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
2-[4-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119247975
(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 100815989
2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248171
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66434765

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid (CID 119248281) is 2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid is Cc1ccc(CN2C(=O)CCC2C(=O)N2CCOC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is VEHCIBRVUWVHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-13-2-4-14(5-3-13)11-21-16(6-7-17(21)22)19(25)20-8-9-26-15(12-20)10-18(23)24/h2-5,15-16H,6-12H2,1H3,(H,23,24).
What are the key properties of 2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 360.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).