2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid

C13H21NO4 — CID 83076202

IUPAC2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C1CCC(C)O1
InChIInChI=1S/C13H21NO4/c1-3-13(12(16)17)7-4-8-14(13)11(15)10-6-5-9(2)18-10/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeySXBKOBNBABDOIF-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.41
Rot. Bonds3

About 2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 83076202) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID83076202
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C1CCC(C)O1
InChIInChI=1S/C13H21NO4/c1-3-13(12(16)17)7-4-8-14(13)11(15)10-6-5-9(2)18-10/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeySXBKOBNBABDOIF-UHFFFAOYSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(4-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 83075872
2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 138028545
2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
CID 104595183
2-ethyl-1-(oxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83075884
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83059785
2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83191714
2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 83070510
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
2-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 103309279
1-(3-cyclopentylpropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075961
2-ethyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83064847

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 83076202) is 2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)C1CCC(C)O1.
What is the InChIKey of 2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SXBKOBNBABDOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-3-13(12(16)17)7-4-8-14(13)11(15)10-6-5-9(2)18-10/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83076202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).