ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate

C10H19NO3 — CID 118409555

IUPACethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate
SMILESCCOC(=O)CC[C@@H]1NCCO[C@H]1C
InChIInChI=1S/C10H19NO3/c1-3-13-10(12)5-4-9-8(2)14-7-6-11-9/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyVMXOAMHSPOQFRC-IUCAKERBSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds4

About ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate

ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate (PubChem CID 118409555) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate
PubChem CID118409555
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate
SMILESCCOC(=O)CC[C@@H]1NCCO[C@H]1C
InChIInChI=1S/C10H19NO3/c1-3-13-10(12)5-4-9-8(2)14-7-6-11-9/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyVMXOAMHSPOQFRC-IUCAKERBSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate?
The IUPAC name of ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate (CID 118409555) is ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate?
The canonical SMILES for ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate is CCOC(=O)CC[C@@H]1NCCO[C@H]1C.
What is the InChIKey of ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate?
The InChIKey is VMXOAMHSPOQFRC-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-13-10(12)5-4-9-8(2)14-7-6-11-9/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate?
ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate is sourced from PubChem (CID 118409555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).