tert-butyl 2-cyanomorpholine-4-carboxylate

C10H16N2O3 — CID 70700471

IUPACtert-butyl 2-cyanomorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C#N)C1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-5,7H2,1-3H3
InChIKeyGZZBGWUQUIKDNN-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.15
Rot. Bonds

About tert-butyl 2-cyanomorpholine-4-carboxylate

tert-butyl 2-cyanomorpholine-4-carboxylate (PubChem CID 70700471) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is tert-butyl 2-cyanomorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-cyanomorpholine-4-carboxylate
PubChem CID70700471
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nametert-butyl 2-cyanomorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C#N)C1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-5,7H2,1-3H3
InChIKeyGZZBGWUQUIKDNN-UHFFFAOYSA-N
XLogP1.15
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 3-cyanomorpholine-4-carboxylate
CID 21098190
Tert-butyl Morpholine-4-carboxylate
CID 11435389
tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
4-Morpholinecarboxylic acid, 6-(aminomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (6S)-
CID 71742818
Tert-butyl 6-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 71742819
tert-butyl (6R)-6-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 71742820
4-Morpholinecarboxylic acid,2-ethynyl-,1,1-dimethyl ethyl ester
CID 90317141
tert-butyl (2S)-2-ethynylmorpholine-4-carboxylate
CID 90317143
tert-butyl (2R)-2-ethynylmorpholine-4-carboxylate
CID 90317158
Tert-butyl 2-(aminomethyl)-6-methylmorpholine-4-carboxylate
CID 102938378
Tert-butyl 3-(cyanomethyl)morpholine-4-carboxylate
CID 51358543
Ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate
CID 75481275

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyanomorpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-cyanomorpholine-4-carboxylate (CID 70700471) is tert-butyl 2-cyanomorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-cyanomorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-cyanomorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(C#N)C1.
What is the InChIKey of tert-butyl 2-cyanomorpholine-4-carboxylate?
The InChIKey is GZZBGWUQUIKDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-5,7H2,1-3H3.
What are the key properties of tert-butyl 2-cyanomorpholine-4-carboxylate?
tert-butyl 2-cyanomorpholine-4-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyanomorpholine-4-carboxylate is sourced from PubChem (CID 70700471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).