potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate

C18H23KN2O5 — CID 167840009

IUPACpotassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate
SMILESCOC1(CNC(=O)N2CCC(c3ccccc3)C2C(=O)[O-])CCOC1.[K+]
InChIInChI=1S/C18H24N2O5.K/c1-24-18(8-10-25-12-18)11-19-17(23)20-9-7-14(15(20)16(21)22)13-5-3-2-4-6-13;/h2-6,14-15H,7-12H2,1H3,(H,19,23)(H,21,22);/q;+1/p-1
InChIKeyQWTWWIOGJUFQSR-UHFFFAOYSA-M
MW386.49 g/mol
LogP-2.89
Rot. Bonds5

About potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate

potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate (PubChem CID 167840009) has the molecular formula C18H23KN2O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepotassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate
PubChem CID167840009
Molecular FormulaC18H23KN2O5
Molecular Weight386.49 g/mol
Exact Mass386.12
IUPAC Namepotassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate
SMILESCOC1(CNC(=O)N2CCC(c3ccccc3)C2C(=O)[O-])CCOC1.[K+]
InChIInChI=1S/C18H24N2O5.K/c1-24-18(8-10-25-12-18)11-19-17(23)20-9-7-14(15(20)16(21)22)13-5-3-2-4-6-13;/h2-6,14-15H,7-12H2,1H3,(H,19,23)(H,21,22);/q;+1/p-1
InChIKeyQWTWWIOGJUFQSR-UHFFFAOYSA-M
XLogP-2.89
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 5-2.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate?
The IUPAC name of potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate (CID 167840009) is potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate is COC1(CNC(=O)N2CCC(c3ccccc3)C2C(=O)[O-])CCOC1.[K+].
What is the InChIKey of potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate?
The InChIKey is QWTWWIOGJUFQSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H24N2O5.K/c1-24-18(8-10-25-12-18)11-19-17(23)20-9-7-14(15(20)16(21)22)13-5-3-2-4-6-13;/h2-6,14-15H,7-12H2,1H3,(H,19,23)(H,21,22);/q;+1/p-1.
What are the key properties of potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate?
potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate has a molecular weight of 386.49 g/mol, XLogP of -2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 167840009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).