4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid

C11H18N2O5 — CID 66239535

IUPAC4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCOC1CNC(C(=O)NC2COCC2C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-17-6-2-8(12-3-6)10(14)13-9-5-18-4-7(9)11(15)16/h6-9,12H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyCQARLXGSSATCIY-UHFFFAOYSA-N
MW258.27 g/mol
LogP-1.42
Rot. Bonds4

About 4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid

4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66239535) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66239535
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCOC1CNC(C(=O)NC2COCC2C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-17-6-2-8(12-3-6)10(14)13-9-5-18-4-7(9)11(15)16/h6-9,12H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyCQARLXGSSATCIY-UHFFFAOYSA-N
XLogP-1.42
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 66239535) is 4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid is COC1CNC(C(=O)NC2COCC2C(=O)O)C1.
What is the InChIKey of 4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is CQARLXGSSATCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-17-6-2-8(12-3-6)10(14)13-9-5-18-4-7(9)11(15)16/h6-9,12H,2-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).