4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid

C13H22N2O4 — CID 162750405

IUPAC4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
SMILESCC(C)N1CCC[C@H]1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-9(2)15-5-3-4-10(15)12(16)14-6-7-19-11(8-14)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)/t10-,11?/m0/s1
InChIKeyBHJYVPYJXMUCKJ-VUWPPUDQSA-N
MW270.33 g/mol
LogP0.17
Rot. Bonds3

About 4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid

4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid (PubChem CID 162750405) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
PubChem CID162750405
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
SMILESCC(C)N1CCC[C@H]1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-9(2)15-5-3-4-10(15)12(16)14-6-7-19-11(8-14)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)/t10-,11?/m0/s1
InChIKeyBHJYVPYJXMUCKJ-VUWPPUDQSA-N
XLogP0.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid (CID 162750405) is 4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid is CC(C)N1CCC[C@H]1C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is BHJYVPYJXMUCKJ-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(2)15-5-3-4-10(15)12(16)14-6-7-19-11(8-14)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)/t10-,11?/m0/s1.
What are the key properties of 4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid?
4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 162750405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).