1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid

C13H22N2O5 — CID 102783026

IUPAC1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOC1(CNC(=O)N2CCC(C)C2C(=O)O)CCOC1
InChIInChI=1S/C13H22N2O5/c1-9-3-5-15(10(9)11(16)17)12(18)14-7-13(19-2)4-6-20-8-13/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyFUGUTTFYTRHXDT-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.30
Rot. Bonds4

About 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid

1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102783026) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102783026
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOC1(CNC(=O)N2CCC(C)C2C(=O)O)CCOC1
InChIInChI=1S/C13H22N2O5/c1-9-3-5-15(10(9)11(16)17)12(18)14-7-13(19-2)4-6-20-8-13/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyFUGUTTFYTRHXDT-UHFFFAOYSA-N
XLogP0.30
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102783026) is 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid is COC1(CNC(=O)N2CCC(C)C2C(=O)O)CCOC1.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is FUGUTTFYTRHXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-9-3-5-15(10(9)11(16)17)12(18)14-7-13(19-2)4-6-20-8-13/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102783026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).