2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid

C18H24N2O4 — CID 119198514

IUPAC2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid
SMILESCCc1ccccc1N1CC(C(=O)N(CC(=O)O)C(C)C)CC1=O
InChIInChI=1S/C18H24N2O4/c1-4-13-7-5-6-8-15(13)20-10-14(9-16(20)21)18(24)19(12(2)3)11-17(22)23/h5-8,12,14H,4,9-11H2,1-3H3,(H,22,23)
InChIKeyXHZBMVYZPGUNHW-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.92
Rot. Bonds6

About 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid

2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid (PubChem CID 119198514) 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]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid
PubChem CID119198514
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid
SMILESCCc1ccccc1N1CC(C(=O)N(CC(=O)O)C(C)C)CC1=O
InChIInChI=1S/C18H24N2O4/c1-4-13-7-5-6-8-15(13)20-10-14(9-16(20)21)18(24)19(12(2)3)11-17(22)23/h5-8,12,14H,4,9-11H2,1-3H3,(H,22,23)
InChIKeyXHZBMVYZPGUNHW-UHFFFAOYSA-N
XLogP1.92
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 51157028
N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120494
N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 112794097
N-butyl-N-ethyl-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120415
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119136960
(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
2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205463
1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51266510
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 94830827
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8603428

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid (CID 119198514) is 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid is CCc1ccccc1N1CC(C(=O)N(CC(=O)O)C(C)C)CC1=O.
What is the InChIKey of 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid?
The InChIKey is XHZBMVYZPGUNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-13-7-5-6-8-15(13)20-10-14(9-16(20)21)18(24)19(12(2)3)11-17(22)23/h5-8,12,14H,4,9-11H2,1-3H3,(H,22,23).
What are the key properties of 2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid?
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 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]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).