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

C12H19NO4 — CID 79759504

IUPAC2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1OCCC1C(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C12H19NO4/c1-8-9(4-7-17-8)10(14)13-6-3-5-12(13,2)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyZMRIBYOHFRLKCQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.88
Rot. Bonds2

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

2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 79759504) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID79759504
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1OCCC1C(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C12H19NO4/c1-8-9(4-7-17-8)10(14)13-6-3-5-12(13,2)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyZMRIBYOHFRLKCQ-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 79759504) is 2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid is CC1OCCC1C(=O)N1CCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZMRIBYOHFRLKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8-9(4-7-17-8)10(14)13-6-3-5-12(13,2)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79759504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).