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

C17H22N2O5 — CID 119249977

IUPAC3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(N2CC(C(=O)NCC(C)(C)C(=O)O)CC2=O)cc1
InChIInChI=1S/C17H22N2O5/c1-17(2,16(22)23)10-18-15(21)11-8-14(20)19(9-11)12-4-6-13(24-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyKJYLJCRRUPKJAW-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.28
Rot. Bonds6

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

3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119249977) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119249977
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(N2CC(C(=O)NCC(C)(C)C(=O)O)CC2=O)cc1
InChIInChI=1S/C17H22N2O5/c1-17(2,16(22)23)10-18-15(21)11-8-14(20)19(9-11)12-4-6-13(24-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyKJYLJCRRUPKJAW-UHFFFAOYSA-N
XLogP1.28
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249485
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 75493668
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 17309359
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42949200
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid (CID 119249977) is 3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid is COc1ccc(N2CC(C(=O)NCC(C)(C)C(=O)O)CC2=O)cc1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is KJYLJCRRUPKJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-17(2,16(22)23)10-18-15(21)11-8-14(20)19(9-11)12-4-6-13(24-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,21)(H,22,23).
What are the key properties of 3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid?
3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 334.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119249977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).