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

C10H17NO4 — CID 3159024

IUPAC1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCOCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H17NO4/c1-2-15-5-3-4-11-7-8(10(13)14)6-9(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyVVPIRIYDBVTFNP-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.35
Rot. Bonds6

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

1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 3159024) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID3159024
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCOCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H17NO4/c1-2-15-5-3-4-11-7-8(10(13)14)6-9(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyVVPIRIYDBVTFNP-UHFFFAOYSA-N
XLogP0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.35
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-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid (CID 3159024) is 1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid is CCOCCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is VVPIRIYDBVTFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-15-5-3-4-11-7-8(10(13)14)6-9(11)12/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 3159024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).