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

C12H19NO4 — CID 102775119

IUPAC3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCOC2C)C1C(=O)O
InChIInChI=1S/C12H19NO4/c1-7-3-5-13(10(7)12(15)16)11(14)9-4-6-17-8(9)2/h7-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyHLVUXNBIJQFXBN-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.73
Rot. Bonds2

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

3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102775119) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID102775119
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCOC2C)C1C(=O)O
InChIInChI=1S/C12H19NO4/c1-7-3-5-13(10(7)12(15)16)11(14)9-4-6-17-8(9)2/h7-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyHLVUXNBIJQFXBN-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79750460
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750313
3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
CID 107069717
1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780337
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750690
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 103900749
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978
(3-bromo-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 102962350
3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 104937291

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 102775119) is 3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)C2CCOC2C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HLVUXNBIJQFXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7-3-5-13(10(7)12(15)16)11(14)9-4-6-17-8(9)2/h7-10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).