1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid

C15H18N2O4 — CID 168690553

IUPAC1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCC(=O)Nc1ccc(C)c(N2CC(C(=O)O)CC2=O)c1
InChIInChI=1S/C15H18N2O4/c1-3-13(18)16-11-5-4-9(2)12(7-11)17-8-10(15(20)21)6-14(17)19/h4-5,7,10H,3,6,8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeySCPONRQQNUCRDE-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.78
Rot. Bonds4

About 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid

1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690553) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690553
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCC(=O)Nc1ccc(C)c(N2CC(C(=O)O)CC2=O)c1
InChIInChI=1S/C15H18N2O4/c1-3-13(18)16-11-5-4-9(2)12(7-11)17-8-10(15(20)21)6-14(17)19/h4-5,7,10H,3,6,8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeySCPONRQQNUCRDE-UHFFFAOYSA-N
XLogP1.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696156
(3S)-1-[2-methyl-5-(3-methylbutanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95211055
5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid
CID 50874012
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051576
1-(2-methyl-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691075
(3S)-N-(3,4-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 719074
N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide
CID 168661984
(3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride
CID 94076327
1-(2,5-dimethylphenyl)-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 10126481
ethyl 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874023
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 126143636
(3S)-1-(2,5-dimethylphenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102102

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 168690553) is 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid is CCC(=O)Nc1ccc(C)c(N2CC(C(=O)O)CC2=O)c1.
What is the InChIKey of 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is SCPONRQQNUCRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-13(18)16-11-5-4-9(2)12(7-11)17-8-10(15(20)21)6-14(17)19/h4-5,7,10H,3,6,8H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).