ethyl 2-morpholin-4-ylpropanoate

C9H17NO3 — CID 13022013

IUPACethyl 2-morpholin-4-ylpropanoate
SMILESCCOC(=O)C(C)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-3-13-9(11)8(2)10-4-6-12-7-5-10/h8H,3-7H2,1-2H3
InChIKeyMYHDUJKDRGLQBN-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.27
Rot. Bonds3

About ethyl 2-morpholin-4-ylpropanoate

ethyl 2-morpholin-4-ylpropanoate (PubChem CID 13022013) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-morpholin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-ylpropanoate
PubChem CID13022013
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-morpholin-4-ylpropanoate
SMILESCCOC(=O)C(C)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-3-13-9(11)8(2)10-4-6-12-7-5-10/h8H,3-7H2,1-2H3
InChIKeyMYHDUJKDRGLQBN-UHFFFAOYSA-N
XLogP0.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-ylpropanoate?
The IUPAC name of ethyl 2-morpholin-4-ylpropanoate (CID 13022013) is ethyl 2-morpholin-4-ylpropanoate.
What is the SMILES notation for ethyl 2-morpholin-4-ylpropanoate?
The canonical SMILES for ethyl 2-morpholin-4-ylpropanoate is CCOC(=O)C(C)N1CCOCC1.
What is the InChIKey of ethyl 2-morpholin-4-ylpropanoate?
The InChIKey is MYHDUJKDRGLQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-13-9(11)8(2)10-4-6-12-7-5-10/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-morpholin-4-ylpropanoate?
ethyl 2-morpholin-4-ylpropanoate has a molecular weight of 187.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-ylpropanoate is sourced from PubChem (CID 13022013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).