ethyl 3-cyano-2-morpholin-4-ylpropanoate

C10H16N2O3 — CID 15629630

IUPACethyl 3-cyano-2-morpholin-4-ylpropanoate
SMILESCCOC(=O)C(CC#N)N1CCOCC1
InChIInChI=1S/C10H16N2O3/c1-2-15-10(13)9(3-4-11)12-5-7-14-8-6-12/h9H,2-3,5-8H2,1H3
InChIKeyNTYBHGUAIMHSOU-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.16
Rot. Bonds4

About ethyl 3-cyano-2-morpholin-4-ylpropanoate

ethyl 3-cyano-2-morpholin-4-ylpropanoate (PubChem CID 15629630) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 3-cyano-2-morpholin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-cyano-2-morpholin-4-ylpropanoate
PubChem CID15629630
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 3-cyano-2-morpholin-4-ylpropanoate
SMILESCCOC(=O)C(CC#N)N1CCOCC1
InChIInChI=1S/C10H16N2O3/c1-2-15-10(13)9(3-4-11)12-5-7-14-8-6-12/h9H,2-3,5-8H2,1H3
InChIKeyNTYBHGUAIMHSOU-UHFFFAOYSA-N
XLogP0.16
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-morpholin-4-ylpropanoate?
The IUPAC name of ethyl 3-cyano-2-morpholin-4-ylpropanoate (CID 15629630) is ethyl 3-cyano-2-morpholin-4-ylpropanoate.
What is the SMILES notation for ethyl 3-cyano-2-morpholin-4-ylpropanoate?
The canonical SMILES for ethyl 3-cyano-2-morpholin-4-ylpropanoate is CCOC(=O)C(CC#N)N1CCOCC1.
What is the InChIKey of ethyl 3-cyano-2-morpholin-4-ylpropanoate?
The InChIKey is NTYBHGUAIMHSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-15-10(13)9(3-4-11)12-5-7-14-8-6-12/h9H,2-3,5-8H2,1H3.
What are the key properties of ethyl 3-cyano-2-morpholin-4-ylpropanoate?
ethyl 3-cyano-2-morpholin-4-ylpropanoate has a molecular weight of 212.25 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-morpholin-4-ylpropanoate is sourced from PubChem (CID 15629630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).