methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate

C14H29NO6 — CID 106992885

IUPACmethyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)CC(O)COC(C)COC
InChIInChI=1S/C14H29NO6/c1-12(10-19-3)21-11-13(16)9-15(7-8-18-2)6-5-14(17)20-4/h12-13,16H,5-11H2,1-4H3
InChIKeyLIJRABZPNHKSHS-UHFFFAOYSA-N
MW307.39 g/mol
LogP-0.09
Rot. Bonds13

About methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate

methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate (PubChem CID 106992885) has the molecular formula C14H29NO6 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate
PubChem CID106992885
Molecular FormulaC14H29NO6
Molecular Weight307.39 g/mol
Exact Mass307.20
IUPAC Namemethyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)CC(O)COC(C)COC
InChIInChI=1S/C14H29NO6/c1-12(10-19-3)21-11-13(16)9-15(7-8-18-2)6-5-14(17)20-4/h12-13,16H,5-11H2,1-4H3
InChIKeyLIJRABZPNHKSHS-UHFFFAOYSA-N
XLogP-0.09
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate with MolForge

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Related Compounds

1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991830
(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95357959
1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60635415
methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate
CID 115536455
methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate
CID 82930234
1-[2-methoxyethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991846
methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 78960557
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306
methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate
CID 78959230
4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid
CID 106991392
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
methyl 3-[2-acetyloxypropyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 175721760

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate (CID 106992885) is methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)CC(O)COC(C)COC.
What is the InChIKey of methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate?
The InChIKey is LIJRABZPNHKSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO6/c1-12(10-19-3)21-11-13(16)9-15(7-8-18-2)6-5-14(17)20-4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate?
methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate has a molecular weight of 307.39 g/mol, XLogP of -0.09, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 106992885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).