2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid

C19H24N2O6 — CID 122067236

IUPAC2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCOc1cc(OC)cc(N2CC(C(=O)N(C3CC3)C(C)C(=O)O)CC2=O)c1
InChIInChI=1S/C19H24N2O6/c1-11(19(24)25)21(13-4-5-13)18(23)12-6-17(22)20(10-12)14-7-15(26-2)9-16(8-14)27-3/h7-9,11-13H,4-6,10H2,1-3H3,(H,24,25)
InChIKeyDXVRYUWZUXEDBN-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.52
Rot. Bonds7

About 2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid

2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 122067236) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID122067236
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCOc1cc(OC)cc(N2CC(C(=O)N(C3CC3)C(C)C(=O)O)CC2=O)c1
InChIInChI=1S/C19H24N2O6/c1-11(19(24)25)21(13-4-5-13)18(23)12-6-17(22)20(10-12)14-7-15(26-2)9-16(8-14)27-3/h7-9,11-13H,4-6,10H2,1-3H3,(H,24,25)
InChIKeyDXVRYUWZUXEDBN-UHFFFAOYSA-N
XLogP1.52
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
CID 119826415
1-(3-methoxyphenyl)-N-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 46564890
N-cyclohexyl-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 43053261
(2S)-1-[(3R)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120077
(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972030
[(1S)-1-cyclopropylethyl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 95173629
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119413570
2-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 120520365
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193196
N-cyclopropyl-1-(3,4-dimethoxyphenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 55594967
2-[cyclopropyl-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119202992
N-cyclopentyl-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 56517670

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid (CID 122067236) is 2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid is COc1cc(OC)cc(N2CC(C(=O)N(C3CC3)C(C)C(=O)O)CC2=O)c1.
What is the InChIKey of 2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is DXVRYUWZUXEDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-11(19(24)25)21(13-4-5-13)18(23)12-6-17(22)20(10-12)14-7-15(26-2)9-16(8-14)27-3/h7-9,11-13H,4-6,10H2,1-3H3,(H,24,25).
What are the key properties of 2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 376.41 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122067236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).