5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 168690563

IUPAC5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCCN1CCC(CN2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C14H24N2O3/c1-2-5-15-6-3-11(4-7-15)9-16-10-12(14(18)19)8-13(16)17/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyAMBLDNVOHMHNJH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.04
Rot. Bonds5

About 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 168690563) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID168690563
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCCN1CCC(CN2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C14H24N2O3/c1-2-5-15-6-3-11(4-7-15)9-16-10-12(14(18)19)8-13(16)17/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyAMBLDNVOHMHNJH-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid (CID 168690563) is 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid is CCCN1CCC(CN2CC(C(=O)O)CC2=O)CC1.
What is the InChIKey of 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AMBLDNVOHMHNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-5-15-6-3-11(4-7-15)9-16-10-12(14(18)19)8-13(16)17/h11-12H,2-10H2,1H3,(H,18,19).
What are the key properties of 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).