methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate

C14H26N2O4 — CID 101419276

IUPACmethyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate
SMILESCC[C@@H]([C@@H](C(=O)OC)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H26N2O4/c1-3-12(15-4-8-19-9-5-15)13(14(17)18-2)16-6-10-20-11-7-16/h12-13H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyMPPJISXDMOGDMJ-STQMWFEESA-N
MW286.37 g/mol
LogP-0.03
Rot. Bonds5

About methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate

methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate (PubChem CID 101419276) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate
PubChem CID101419276
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate
SMILESCC[C@@H]([C@@H](C(=O)OC)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H26N2O4/c1-3-12(15-4-8-19-9-5-15)13(14(17)18-2)16-6-10-20-11-7-16/h12-13H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyMPPJISXDMOGDMJ-STQMWFEESA-N
XLogP-0.03
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate?
The IUPAC name of methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate (CID 101419276) is methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate.
What is the SMILES notation for methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate?
The canonical SMILES for methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate is CC[C@@H]([C@@H](C(=O)OC)N1CCOCC1)N1CCOCC1.
What is the InChIKey of methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate?
The InChIKey is MPPJISXDMOGDMJ-STQMWFEESA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-12(15-4-8-19-9-5-15)13(14(17)18-2)16-6-10-20-11-7-16/h12-13H,3-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate?
methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate has a molecular weight of 286.37 g/mol, XLogP of -0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate is sourced from PubChem (CID 101419276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).