2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid

C18H24N2O4 — CID 119136960

IUPAC2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
SMILESCCc1ccccc1N1CC(C(=O)NC(C(=O)O)C(C)C)CC1=O
InChIInChI=1S/C18H24N2O4/c1-4-12-7-5-6-8-14(12)20-10-13(9-15(20)21)17(22)19-16(11(2)3)18(23)24/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyVVBVIGJKPARWPB-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.83
Rot. Bonds6

About 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid

2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 119136960) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
PubChem CID119136960
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
SMILESCCc1ccccc1N1CC(C(=O)NC(C(=O)O)C(C)C)CC1=O
InChIInChI=1S/C18H24N2O4/c1-4-12-7-5-6-8-14(12)20-10-13(9-15(20)21)17(22)19-16(11(2)3)18(23)24/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyVVBVIGJKPARWPB-UHFFFAOYSA-N
XLogP1.83
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120827980
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 56544904
2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119212157
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983
N-(2-amino-2-phenylethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119528627
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
2-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119224981
methyl 2-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoate
CID 55343911
(3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9056335

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid (CID 119136960) is 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid is CCc1ccccc1N1CC(C(=O)NC(C(=O)O)C(C)C)CC1=O.
What is the InChIKey of 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is VVBVIGJKPARWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-12-7-5-6-8-14(12)20-10-13(9-15(20)21)17(22)19-16(11(2)3)18(23)24/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid?
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 332.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 119136960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).