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

C12H21NO5 — CID 113463677

IUPAC1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCOCCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H21NO5/c1-17-6-7-18-5-3-2-4-13-9-10(12(15)16)8-11(13)14/h10H,2-9H2,1H3,(H,15,16)
InChIKeyFAIIXMBLQNKUCD-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.36
Rot. Bonds9

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

1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 113463677) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID113463677
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCOCCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H21NO5/c1-17-6-7-18-5-3-2-4-13-9-10(12(15)16)8-11(13)14/h10H,2-9H2,1H3,(H,15,16)
InChIKeyFAIIXMBLQNKUCD-UHFFFAOYSA-N
XLogP0.36
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid
CID 83192025
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 106244819
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690461
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid
CID 50981461
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
CID 168507422
4-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125149285
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid (CID 113463677) is 1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid is COCCOCCCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is FAIIXMBLQNKUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-17-6-7-18-5-3-2-4-13-9-10(12(15)16)8-11(13)14/h10H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 0.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 113463677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).