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

C15H19N3O4 — CID 70761795

IUPAC(3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)N2CCOCC2)C[C@H]1c1ccccn1
InChIInChI=1S/C15H19N3O4/c19-14(20)12-10-18(15(21)17-5-7-22-8-6-17)9-11(12)13-3-1-2-4-16-13/h1-4,11-12H,5-10H2,(H,19,20)/t11-,12-/m1/s1
InChIKeyDMURDYOHNVYHAI-VXGBXAGGSA-N
MW305.33 g/mol
LogP0.63
Rot. Bonds2

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

(3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 70761795) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
PubChem CID70761795
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)N2CCOCC2)C[C@H]1c1ccccn1
InChIInChI=1S/C15H19N3O4/c19-14(20)12-10-18(15(21)17-5-7-22-8-6-17)9-11(12)13-3-1-2-4-16-13/h1-4,11-12H,5-10H2,(H,19,20)/t11-,12-/m1/s1
InChIKeyDMURDYOHNVYHAI-VXGBXAGGSA-N
XLogP0.63
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid (CID 70761795) is (3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)N2CCOCC2)C[C@H]1c1ccccn1.
What is the InChIKey of (3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is DMURDYOHNVYHAI-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-14(20)12-10-18(15(21)17-5-7-22-8-6-17)9-11(12)13-3-1-2-4-16-13/h1-4,11-12H,5-10H2,(H,19,20)/t11-,12-/m1/s1.
What are the key properties of (3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(morpholine-4-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70761795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).