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

C12H19NO4 — CID 79750313

IUPAC4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C2CCOC2C)CC1C(=O)O
InChIInChI=1S/C12H19NO4/c1-7-5-13(6-10(7)12(15)16)11(14)9-3-4-17-8(9)2/h7-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyBPJJPTWMJIMLTO-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.59
Rot. Bonds2

About 4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 79750313) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID79750313
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C2CCOC2C)CC1C(=O)O
InChIInChI=1S/C12H19NO4/c1-7-5-13(6-10(7)12(15)16)11(14)9-3-4-17-8(9)2/h7-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyBPJJPTWMJIMLTO-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750690
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 103900749
1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721542
3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775119
(3-bromo-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 102962350
[2-(1-aminoethyl)morpholin-4-yl]-(2-methyloxolan-3-yl)methanone
CID 115315098
1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79750460
(3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 80660660
(3S,4S)-4-methyl-1-[2-(4-methylphenyl)oxane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120951929
2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978927

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 79750313) is 4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid is CC1CN(C(=O)C2CCOC2C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BPJJPTWMJIMLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7-5-13(6-10(7)12(15)16)11(14)9-3-4-17-8(9)2/h7-10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79750313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).