1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid

C9H15NO4 — CID 4777964

IUPAC1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H15NO4/c1-14-4-2-3-10-6-7(9(12)13)5-8(10)11/h7H,2-6H2,1H3,(H,12,13)
InChIKeyIULBBAKLFCDXJH-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.04
Rot. Bonds5

About 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid

1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 4777964) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID4777964
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H15NO4/c1-14-4-2-3-10-6-7(9(12)13)5-8(10)11/h7H,2-6H2,1H3,(H,12,13)
InChIKeyIULBBAKLFCDXJH-UHFFFAOYSA-N
XLogP-0.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid (CID 4777964) is 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid is COCCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is IULBBAKLFCDXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-14-4-2-3-10-6-7(9(12)13)5-8(10)11/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 4777964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).