ethyl 2-morpholin-4-ylbutanoate

C10H19NO3 — CID 13022014

IUPACethyl 2-morpholin-4-ylbutanoate
SMILESCCOC(=O)C(CC)N1CCOCC1
InChIInChI=1S/C10H19NO3/c1-3-9(10(12)14-4-2)11-5-7-13-8-6-11/h9H,3-8H2,1-2H3
InChIKeyRLOBDFMHCUTEKR-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds4

About ethyl 2-morpholin-4-ylbutanoate

ethyl 2-morpholin-4-ylbutanoate (PubChem CID 13022014) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 2-morpholin-4-ylbutanoate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-ylbutanoate
PubChem CID13022014
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 2-morpholin-4-ylbutanoate
SMILESCCOC(=O)C(CC)N1CCOCC1
InChIInChI=1S/C10H19NO3/c1-3-9(10(12)14-4-2)11-5-7-13-8-6-11/h9H,3-8H2,1-2H3
InChIKeyRLOBDFMHCUTEKR-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
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-ylbutanoate?
The IUPAC name of ethyl 2-morpholin-4-ylbutanoate (CID 13022014) is ethyl 2-morpholin-4-ylbutanoate.
What is the SMILES notation for ethyl 2-morpholin-4-ylbutanoate?
The canonical SMILES for ethyl 2-morpholin-4-ylbutanoate is CCOC(=O)C(CC)N1CCOCC1.
What is the InChIKey of ethyl 2-morpholin-4-ylbutanoate?
The InChIKey is RLOBDFMHCUTEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-9(10(12)14-4-2)11-5-7-13-8-6-11/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 2-morpholin-4-ylbutanoate?
ethyl 2-morpholin-4-ylbutanoate has a molecular weight of 201.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-ylbutanoate is sourced from PubChem (CID 13022014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).