ethane;methyl 2-morpholin-3-ylacetate

C9H19NO3 — CID 142578691

IUPACethane;methyl 2-morpholin-3-ylacetate
SMILESCC.COC(=O)CC1COCCN1
InChIInChI=1S/C7H13NO3.C2H6/c1-10-7(9)4-6-5-11-3-2-8-6;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyYNLHYDMPSZTRCB-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.56
Rot. Bonds2

About ethane;methyl 2-morpholin-3-ylacetate

ethane;methyl 2-morpholin-3-ylacetate (PubChem CID 142578691) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethane;methyl 2-morpholin-3-ylacetate.

Molecular Properties

Compound Nameethane;methyl 2-morpholin-3-ylacetate
PubChem CID142578691
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethane;methyl 2-morpholin-3-ylacetate
SMILESCC.COC(=O)CC1COCCN1
InChIInChI=1S/C7H13NO3.C2H6/c1-10-7(9)4-6-5-11-3-2-8-6;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyYNLHYDMPSZTRCB-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-morpholin-3-ylacetate?
The IUPAC name of ethane;methyl 2-morpholin-3-ylacetate (CID 142578691) is ethane;methyl 2-morpholin-3-ylacetate.
What is the SMILES notation for ethane;methyl 2-morpholin-3-ylacetate?
The canonical SMILES for ethane;methyl 2-morpholin-3-ylacetate is CC.COC(=O)CC1COCCN1.
What is the InChIKey of ethane;methyl 2-morpholin-3-ylacetate?
The InChIKey is YNLHYDMPSZTRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C2H6/c1-10-7(9)4-6-5-11-3-2-8-6;1-2/h6,8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;methyl 2-morpholin-3-ylacetate?
ethane;methyl 2-morpholin-3-ylacetate has a molecular weight of 189.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-morpholin-3-ylacetate is sourced from PubChem (CID 142578691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).