(2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide

C13H22N4O2 — CID 128987000

IUPAC(2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide
SMILESCC(C)n1ccnc1CN1CCO[C@H](C)[C@H]1C(N)=O
InChIInChI=1S/C13H22N4O2/c1-9(2)17-5-4-15-11(17)8-16-6-7-19-10(3)12(16)13(14)18/h4-5,9-10,12H,6-8H2,1-3H3,(H2,14,18)/t10-,12+/m1/s1
InChIKeyVUXJXVYMXHTHPD-PWSUYJOCSA-N
MW266.34 g/mol
LogP0.54
Rot. Bonds4

About (2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide (PubChem CID 128987000) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide
PubChem CID128987000
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide
SMILESCC(C)n1ccnc1CN1CCO[C@H](C)[C@H]1C(N)=O
InChIInChI=1S/C13H22N4O2/c1-9(2)17-5-4-15-11(17)8-16-6-7-19-10(3)12(16)13(14)18/h4-5,9-10,12H,6-8H2,1-3H3,(H2,14,18)/t10-,12+/m1/s1
InChIKeyVUXJXVYMXHTHPD-PWSUYJOCSA-N
XLogP0.54
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide (CID 128987000) is (2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide is CC(C)n1ccnc1CN1CCO[C@H](C)[C@H]1C(N)=O.
What is the InChIKey of (2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide?
The InChIKey is VUXJXVYMXHTHPD-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)17-5-4-15-11(17)8-16-6-7-19-10(3)12(16)13(14)18/h4-5,9-10,12H,6-8H2,1-3H3,(H2,14,18)/t10-,12+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 128987000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).