(2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid

C12H21N3O5 — CID 78999377

IUPAC(2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H21N3O5/c16-9-7-10(11(17)18)15(8-9)12(19)13-1-2-14-3-5-20-6-4-14/h9-10,16H,1-8H2,(H,13,19)(H,17,18)/t9-,10-/m1/s1
InChIKeyVSSMLXVVWVFLST-NXEZZACHSA-N
MW287.32 g/mol
LogP-1.45
Rot. Bonds4

About (2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 78999377) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID78999377
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H21N3O5/c16-9-7-10(11(17)18)15(8-9)12(19)13-1-2-14-3-5-20-6-4-14/h9-10,16H,1-8H2,(H,13,19)(H,17,18)/t9-,10-/m1/s1
InChIKeyVSSMLXVVWVFLST-NXEZZACHSA-N
XLogP-1.45
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 78999377) is (2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)NCCN1CCOCC1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VSSMLXVVWVFLST-NXEZZACHSA-N. The full InChI is InChI=1S/C12H21N3O5/c16-9-7-10(11(17)18)15(8-9)12(19)13-1-2-14-3-5-20-6-4-14/h9-10,16H,1-8H2,(H,13,19)(H,17,18)/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of -1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78999377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).