1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

C12H20N2O4 — CID 63719696

IUPAC1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCOC1CNC(C(=O)N2CC(C)C(C(=O)O)C2)C1
InChIInChI=1S/C12H20N2O4/c1-7-5-14(6-9(7)12(16)17)11(15)10-3-8(18-2)4-13-10/h7-10,13H,3-6H2,1-2H3,(H,16,17)
InChIKeyOAEUKSTWFCWPFR-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.46
Rot. Bonds3

About 1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63719696) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63719696
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCOC1CNC(C(=O)N2CC(C)C(C(=O)O)C2)C1
InChIInChI=1S/C12H20N2O4/c1-7-5-14(6-9(7)12(16)17)11(15)10-3-8(18-2)4-13-10/h7-10,13H,3-6H2,1-2H3,(H,16,17)
InChIKeyOAEUKSTWFCWPFR-UHFFFAOYSA-N
XLogP-0.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63719696) is 1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is COC1CNC(C(=O)N2CC(C)C(C(=O)O)C2)C1.
What is the InChIKey of 1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is OAEUKSTWFCWPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7-5-14(6-9(7)12(16)17)11(15)10-3-8(18-2)4-13-10/h7-10,13H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63719696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).