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

C11H18N2O4 — CID 55149530

IUPAC1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCOC1CNC(C(=O)N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C11H18N2O4/c1-17-8-4-9(12-5-8)10(14)13-3-2-7(6-13)11(15)16/h7-9,12H,2-6H2,1H3,(H,15,16)
InChIKeyIUVSGMAYWLEIEY-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.70
Rot. Bonds3

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

1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 55149530) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID55149530
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCOC1CNC(C(=O)N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C11H18N2O4/c1-17-8-4-9(12-5-8)10(14)13-3-2-7(6-13)11(15)16/h7-9,12H,2-6H2,1H3,(H,15,16)
InChIKeyIUVSGMAYWLEIEY-UHFFFAOYSA-N
XLogP-0.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.70
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)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 55149530) is 1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid is COC1CNC(C(=O)N2CCC(C(=O)O)C2)C1.
What is the InChIKey of 1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IUVSGMAYWLEIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-17-8-4-9(12-5-8)10(14)13-3-2-7(6-13)11(15)16/h7-9,12H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.70, 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)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55149530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).