(5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one

C15H23N5O3 — CID 96511883

IUPAC(5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)c1n[nH]c([C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n1
InChIInChI=1S/C15H23N5O3/c1-15(2,3)14-17-12(18-19-14)10-8-20(6-7-23-10)13(22)9-4-5-11(21)16-9/h9-10H,4-8H2,1-3H3,(H,16,21)(H,17,18,19)/t9-,10-/m1/s1
InChIKeyNZJUZBWGVDNBQR-NXEZZACHSA-N
MW321.38 g/mol
LogP0.28
Rot. Bonds2

About (5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one

(5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one (PubChem CID 96511883) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one
PubChem CID96511883
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name(5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)c1n[nH]c([C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n1
InChIInChI=1S/C15H23N5O3/c1-15(2,3)14-17-12(18-19-14)10-8-20(6-7-23-10)13(22)9-4-5-11(21)16-9/h9-10H,4-8H2,1-3H3,(H,16,21)(H,17,18,19)/t9-,10-/m1/s1
InChIKeyNZJUZBWGVDNBQR-NXEZZACHSA-N
XLogP0.28
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one (CID 96511883) is (5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one is CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n1.
What is the InChIKey of (5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is NZJUZBWGVDNBQR-NXEZZACHSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-15(2,3)14-17-12(18-19-14)10-8-20(6-7-23-10)13(22)9-4-5-11(21)16-9/h9-10H,4-8H2,1-3H3,(H,16,21)(H,17,18,19)/t9-,10-/m1/s1.
What are the key properties of (5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one?
(5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 321.38 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 96511883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).