1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid

C13H21NO4 — CID 65157522

IUPAC1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1OC(C)C(C(=O)N2CCC(C(=O)O)C2)C1C
InChIInChI=1S/C13H21NO4/c1-7-8(2)18-9(3)11(7)12(15)14-5-4-10(6-14)13(16)17/h7-11H,4-6H2,1-3H3,(H,16,17)
InChIKeyUQFRYHSZQJRABR-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.98
Rot. Bonds2

About 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid

1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 65157522) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID65157522
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1OC(C)C(C(=O)N2CCC(C(=O)O)C2)C1C
InChIInChI=1S/C13H21NO4/c1-7-8(2)18-9(3)11(7)12(15)14-5-4-10(6-14)13(16)17/h7-11H,4-6H2,1-3H3,(H,16,17)
InChIKeyUQFRYHSZQJRABR-UHFFFAOYSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 115313979
methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate
CID 65160002
N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide
CID 77057802
[3-(bromomethyl)pyrrolidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80666651
(3-bromopiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80660679
[4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65159239
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750690
(4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 112747394
[3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65160690
1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030374
2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid
CID 65157041
pyrrolidine-1,3-dicarboxylic acid
CID 22258620

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 65157522) is 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid is CC1OC(C)C(C(=O)N2CCC(C(=O)O)C2)C1C.
What is the InChIKey of 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UQFRYHSZQJRABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-7-8(2)18-9(3)11(7)12(15)14-5-4-10(6-14)13(16)17/h7-11H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid?
1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65157522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).