3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid

C19H20N2O4 — CID 119233129

IUPAC3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C19H20N2O4/c1-20(10-9-18(23)24)19(25)14-11-17(22)21(12-14)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14H,9-12H2,1H3,(H,23,24)
InChIKeyMMJLEXDUILJLIB-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.13
Rot. Bonds5

About 3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid

3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 119233129) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID119233129
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C19H20N2O4/c1-20(10-9-18(23)24)19(25)14-11-17(22)21(12-14)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14H,9-12H2,1H3,(H,23,24)
InChIKeyMMJLEXDUILJLIB-UHFFFAOYSA-N
XLogP2.13
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119233252
3-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119232628
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 112790477
1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate
CID 134033372
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
3-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119362275
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230120
4-[4-(methylamino)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one;hydrochloride
CID 119560343

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid (CID 119233129) is 3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)C1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of 3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is MMJLEXDUILJLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-20(10-9-18(23)24)19(25)14-11-17(22)21(12-14)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14H,9-12H2,1H3,(H,23,24).
What are the key properties of 3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119233129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).