4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile

C12H21N3O2 — CID 79674055

IUPAC4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile
SMILESCC(C)(N)C(C)(C)C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C12H21N3O2/c1-11(2,12(3,4)14)10(16)15-5-6-17-9(7-13)8-15/h9H,5-6,8,14H2,1-4H3
InChIKeyUIUORACJFJITGR-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.50
Rot. Bonds2

About 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile

4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile (PubChem CID 79674055) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile
PubChem CID79674055
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile
SMILESCC(C)(N)C(C)(C)C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C12H21N3O2/c1-11(2,12(3,4)14)10(16)15-5-6-17-9(7-13)8-15/h9H,5-6,8,14H2,1-4H3
InChIKeyUIUORACJFJITGR-UHFFFAOYSA-N
XLogP0.50
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-cyanomorpholine-4-carboxamide
CID 79674612
4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile
CID 79681377
4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile
CID 78945675
4-(2-methylcyclopropanecarbonyl)morpholine-2-carbonitrile
CID 78945771
4-(2-cyanopropanoyl)morpholine-2-carbonitrile
CID 78996355
2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
propan-2-yl 2-cyanomorpholine-4-carboxylate
CID 79674867
4-(3,5-dimethylbenzoyl)morpholine-2-carbonitrile
CID 78945545
4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile
CID 79674039
5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 79674093
4-(cycloheptanecarbonyl)morpholine-2-carbonitrile
CID 78945818
4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile
CID 79674939

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile (CID 79674055) is 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile is CC(C)(N)C(C)(C)C(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile?
The InChIKey is UIUORACJFJITGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-11(2,12(3,4)14)10(16)15-5-6-17-9(7-13)8-15/h9H,5-6,8,14H2,1-4H3.
What are the key properties of 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile?
4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).