1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid

C11H17NO4 — CID 79750690

IUPAC1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1OCCC1C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H17NO4/c1-7-9(3-5-16-7)10(13)12-4-2-8(6-12)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyHKYLYEZKFZCNIA-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.34
Rot. Bonds2

About 1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid

1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 79750690) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID79750690
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1OCCC1C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H17NO4/c1-7-9(3-5-16-7)10(13)12-4-2-8(6-12)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyHKYLYEZKFZCNIA-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 103900749
4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750313
(3-bromo-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 102962350
1-(2-methyloxolane-3-carbonyl)piperidine-3-carbothioamide
CID 79758803
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79758718
1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82742033
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
(3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 80660660
1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 65157522
[4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79759313
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 79750690) is 1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid is CC1OCCC1C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HKYLYEZKFZCNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7-9(3-5-16-7)10(13)12-4-2-8(6-12)11(14)15/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid?
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79750690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).