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

C19H26N2O5 — CID 119212157

IUPAC2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid
SMILESCCOc1ccccc1N1CC(C(=O)NC(C(=O)O)C(C)CC)CC1=O
InChIInChI=1S/C19H26N2O5/c1-4-12(3)17(19(24)25)20-18(23)13-10-16(22)21(11-13)14-8-6-7-9-15(14)26-5-2/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyZQBVMZLYXXJUNN-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.05
Rot. Bonds8

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

2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid (PubChem CID 119212157) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid
PubChem CID119212157
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid
SMILESCCOc1ccccc1N1CC(C(=O)NC(C(=O)O)C(C)CC)CC1=O
InChIInChI=1S/C19H26N2O5/c1-4-12(3)17(19(24)25)20-18(23)13-10-16(22)21(11-13)14-8-6-7-9-15(14)26-5-2/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyZQBVMZLYXXJUNN-UHFFFAOYSA-N
XLogP2.05
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367728
1-(2-ethoxyphenyl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55751598
1-(2-ethoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 24552104
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551
N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75448758
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119136960
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 30182120
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119426905
1-(2-ethoxyphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188193
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid (CID 119212157) is 2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid is CCOc1ccccc1N1CC(C(=O)NC(C(=O)O)C(C)CC)CC1=O.
What is the InChIKey of 2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid?
The InChIKey is ZQBVMZLYXXJUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-4-12(3)17(19(24)25)20-18(23)13-10-16(22)21(11-13)14-8-6-7-9-15(14)26-5-2/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,20,23)(H,24,25).
What are the key properties of 2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid?
2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid has a molecular weight of 362.43 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 119212157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).