1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid

C11H18N2O5 — CID 55136075

IUPAC1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCOCCCNC(=O)CN1C(=O)CCC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-18-6-2-5-12-9(14)7-13-8(11(16)17)3-4-10(13)15/h8H,2-7H2,1H3,(H,12,14)(H,16,17)
InChIKeyPIBNENVTBNMYQG-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.79
Rot. Bonds7

About 1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid

1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 55136075) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID55136075
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCOCCCNC(=O)CN1C(=O)CCC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-18-6-2-5-12-9(14)7-13-8(11(16)17)3-4-10(13)15/h8H,2-7H2,1H3,(H,12,14)(H,16,17)
InChIKeyPIBNENVTBNMYQG-UHFFFAOYSA-N
XLogP-0.79
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid (CID 55136075) is 1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid is COCCCNC(=O)CN1C(=O)CCC1C(=O)O.
What is the InChIKey of 1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is PIBNENVTBNMYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-18-6-2-5-12-9(14)7-13-8(11(16)17)3-4-10(13)15/h8H,2-7H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55136075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).