methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate

C13H25NO6 — CID 106992909

IUPACmethyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate
SMILESCOCC(C)OCC(O)CN1CCOCC1C(=O)OC
InChIInChI=1S/C13H25NO6/c1-10(7-17-2)20-8-11(15)6-14-4-5-19-9-12(14)13(16)18-3/h10-12,15H,4-9H2,1-3H3
InChIKeyKPSFVHIKRBFSMJ-UHFFFAOYSA-N
MW291.34 g/mol
LogP-0.73
Rot. Bonds8

About methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate

methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate (PubChem CID 106992909) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate
PubChem CID106992909
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Namemethyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate
SMILESCOCC(C)OCC(O)CN1CCOCC1C(=O)OC
InChIInChI=1S/C13H25NO6/c1-10(7-17-2)20-8-11(15)6-14-4-5-19-9-12(14)13(16)18-3/h10-12,15H,4-9H2,1-3H3
InChIKeyKPSFVHIKRBFSMJ-UHFFFAOYSA-N
XLogP-0.73
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate (CID 106992909) is methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate is COCC(C)OCC(O)CN1CCOCC1C(=O)OC.
What is the InChIKey of methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate?
The InChIKey is KPSFVHIKRBFSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO6/c1-10(7-17-2)20-8-11(15)6-14-4-5-19-9-12(14)13(16)18-3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate?
methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate has a molecular weight of 291.34 g/mol, XLogP of -0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate is sourced from PubChem (CID 106992909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).