(3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid

C13H22N2O4 — CID 110203758

IUPAC(3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1C[C@H](C(=O)N2CCOCC2)[C@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-9(2)15-7-10(11(8-15)13(17)18)12(16)14-3-5-19-6-4-14/h9-11H,3-8H2,1-2H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyXKSLPHZMSDPMAE-WDEREUQCSA-N
MW270.33 g/mol
LogP-0.11
Rot. Bonds3

About (3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid

(3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 110203758) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID110203758
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1C[C@H](C(=O)N2CCOCC2)[C@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-9(2)15-7-10(11(8-15)13(17)18)12(16)14-3-5-19-6-4-14/h9-11H,3-8H2,1-2H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyXKSLPHZMSDPMAE-WDEREUQCSA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 110203758) is (3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)N1C[C@H](C(=O)N2CCOCC2)[C@H](C(=O)O)C1.
What is the InChIKey of (3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is XKSLPHZMSDPMAE-WDEREUQCSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(2)15-7-10(11(8-15)13(17)18)12(16)14-3-5-19-6-4-14/h9-11H,3-8H2,1-2H3,(H,17,18)/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
(3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 110203758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).