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

C18H24N2O5 — CID 119192397

IUPAC2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1CC(=O)N(c2ccccc2OC)C1)C(=O)O
InChIInChI=1S/C18H24N2O5/c1-4-9-18(2,17(23)24)19-16(22)12-10-15(21)20(11-12)13-7-5-6-8-14(13)25-3/h5-8,12H,4,9-11H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyFUTNGDKQXYEMBX-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.81
Rot. Bonds7

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

2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid (PubChem CID 119192397) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid
PubChem CID119192397
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1CC(=O)N(c2ccccc2OC)C1)C(=O)O
InChIInChI=1S/C18H24N2O5/c1-4-9-18(2,17(23)24)19-16(22)12-10-15(21)20(11-12)13-7-5-6-8-14(13)25-3/h5-8,12H,4,9-11H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyFUTNGDKQXYEMBX-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

4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119204598
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
(3R)-N-tert-butyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394386
N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119440714
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
(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
ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 55969086
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid (CID 119192397) is 2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)C1CC(=O)N(c2ccccc2OC)C1)C(=O)O.
What is the InChIKey of 2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid?
The InChIKey is FUTNGDKQXYEMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-4-9-18(2,17(23)24)19-16(22)12-10-15(21)20(11-12)13-7-5-6-8-14(13)25-3/h5-8,12H,4,9-11H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid?
2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-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 2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 119192397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).