4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid

C15H30N2O4Si — CID 173404389

IUPAC4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCCC1C(=O)N(CCNCCC[SiH2]OC)CC1C(=O)O
InChIInChI=1S/C15H30N2O4Si/c1-3-4-6-12-13(15(19)20)11-17(14(12)18)9-8-16-7-5-10-22-21-2/h12-13,16H,3-11,22H2,1-2H3,(H,19,20)
InChIKeyGFAIXUFMYAWPLS-UHFFFAOYSA-N
MW330.50 g/mol
LogP0.46
Rot. Bonds12

About 4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid

4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 173404389) has the molecular formula C15H30N2O4Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID173404389
Molecular FormulaC15H30N2O4Si
Molecular Weight330.50 g/mol
Exact Mass330.20
IUPAC Name4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCCC1C(=O)N(CCNCCC[SiH2]OC)CC1C(=O)O
InChIInChI=1S/C15H30N2O4Si/c1-3-4-6-12-13(15(19)20)11-17(14(12)18)9-8-16-7-5-10-22-21-2/h12-13,16H,3-11,22H2,1-2H3,(H,19,20)
InChIKeyGFAIXUFMYAWPLS-UHFFFAOYSA-N
XLogP0.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 159316177
CID 159316177
4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen
CID 161111935
2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46902924
(3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide
CID 139227589
2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
CID 46902884
(2R,3S)-1-dodecyl-5-oxo-2-undecylpyrrolidine-3-carboxylic acid
CID 171432322
(3R,4R)-4-[(4-chlorophenyl)carbamoylamino]-5-oxo-1-pentylpyrrolidine-3-carboxylic acid
CID 67792610
1-O-butyl 3-O-methyl (3R,4R)-4-benzyl-5-oxopyrrolidine-1,3-dicarboxylate
CID 142553769
1-butyl-2-oxoimidazolidine-4-carboxylic acid
CID 54048507
ethyl (3S,4S)-2-oxo-1-pentyl-4-propylpyrrolidine-3-carboxylate
CID 135020757
methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoate
CID 67272214
(3R,4S)-4-(naphthalene-2-carbonylamino)-5-oxo-1-pentylpyrrolidine-3-carboxylic acid
CID 67821903

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid (CID 173404389) is 4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid is CCCCC1C(=O)N(CCNCCC[SiH2]OC)CC1C(=O)O.
What is the InChIKey of 4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is GFAIXUFMYAWPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4Si/c1-3-4-6-12-13(15(19)20)11-17(14(12)18)9-8-16-7-5-10-22-21-2/h12-13,16H,3-11,22H2,1-2H3,(H,19,20).
What are the key properties of 4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 330.50 g/mol, XLogP of 0.46, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-[2-(3-methoxysilylpropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 173404389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).