(2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one

C13H22N4O2 — CID 97002473

IUPAC(2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)[C@@H](NCc1ncc[nH]1)C(=O)N1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-10(2)12(16-9-11-14-3-4-15-11)13(18)17-5-7-19-8-6-17/h3-4,10,12,16H,5-9H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyJMJDURHWCICLDA-GFCCVEGCSA-N
MW266.34 g/mol
LogP0.38
Rot. Bonds5

About (2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one

(2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 97002473) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID97002473
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)[C@@H](NCc1ncc[nH]1)C(=O)N1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-10(2)12(16-9-11-14-3-4-15-11)13(18)17-5-7-19-8-6-17/h3-4,10,12,16H,5-9H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyJMJDURHWCICLDA-GFCCVEGCSA-N
XLogP0.38
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of (2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one (CID 97002473) is (2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for (2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one is CC(C)[C@@H](NCc1ncc[nH]1)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is JMJDURHWCICLDA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(2)12(16-9-11-14-3-4-15-11)13(18)17-5-7-19-8-6-17/h3-4,10,12,16H,5-9H2,1-2H3,(H,14,15)/t12-/m1/s1.
What are the key properties of (2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one?
(2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 266.34 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 97002473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).