1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 106976137

IUPAC1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C1(N)CCOCC1
InChIInChI=1S/C14H24N2O4/c1-2-4-14(12(18)19)5-3-8-16(14)11(17)13(15)6-9-20-10-7-13/h2-10,15H2,1H3,(H,18,19)
InChIKeyOBWINMWOPRKZML-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.74
Rot. Bonds4

About 1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106976137) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106976137
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C1(N)CCOCC1
InChIInChI=1S/C14H24N2O4/c1-2-4-14(12(18)19)5-3-8-16(14)11(17)13(15)6-9-20-10-7-13/h2-10,15H2,1H3,(H,18,19)
InChIKeyOBWINMWOPRKZML-UHFFFAOYSA-N
XLogP0.74
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106976137) is 1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)C1(N)CCOCC1.
What is the InChIKey of 1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is OBWINMWOPRKZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-4-14(12(18)19)5-3-8-16(14)11(17)13(15)6-9-20-10-7-13/h2-10,15H2,1H3,(H,18,19).
What are the key properties of 1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106976137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).