4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid

C18H24N2O5 — CID 119204598

IUPAC4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCOc1ccccc1N1CC(C(=O)NC(C)(C)CCC(=O)O)CC1=O
InChIInChI=1S/C18H24N2O5/c1-18(2,9-8-16(22)23)19-17(24)12-10-15(21)20(11-12)13-6-4-5-7-14(13)25-3/h4-7,12H,8-11H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyIZNZSZJLBQZCCK-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.81
Rot. Bonds7

About 4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid

4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 119204598) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
PubChem CID119204598
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCOc1ccccc1N1CC(C(=O)NC(C)(C)CCC(=O)O)CC1=O
InChIInChI=1S/C18H24N2O5/c1-18(2,9-8-16(22)23)19-17(24)12-10-15(21)20(11-12)13-6-4-5-7-14(13)25-3/h4-7,12H,8-11H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyIZNZSZJLBQZCCK-UHFFFAOYSA-N
XLogP1.81
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid
CID 119192397
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 124682956
(3S)-N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260458
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964415
(3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 52800181
(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51720446
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
(3S)-N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26915395

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid (CID 119204598) is 4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid is COc1ccccc1N1CC(C(=O)NC(C)(C)CCC(=O)O)CC1=O.
What is the InChIKey of 4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is IZNZSZJLBQZCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-18(2,9-8-16(22)23)19-17(24)12-10-15(21)20(11-12)13-6-4-5-7-14(13)25-3/h4-7,12H,8-11H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 348.40 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119204598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).