1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid

C13H24N2O3 — CID 63889960

IUPAC1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCCC(=O)NC)C1
InChIInChI=1S/C13H24N2O3/c1-3-6-13(12(17)18)7-9-15(10-13)8-4-5-11(16)14-2/h3-10H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyHDVNZVWPSQIRHZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds7

About 1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid

1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63889960) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63889960
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCCC(=O)NC)C1
InChIInChI=1S/C13H24N2O3/c1-3-6-13(12(17)18)7-9-15(10-13)8-4-5-11(16)14-2/h3-10H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyHDVNZVWPSQIRHZ-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid (CID 63889960) is 1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CCCC(=O)NC)C1.
What is the InChIKey of 1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is HDVNZVWPSQIRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-6-13(12(17)18)7-9-15(10-13)8-4-5-11(16)14-2/h3-10H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63889960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).