methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate

C11H23NO4 — CID 115536395

IUPACmethyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)CC(C)(C)O
InChIInChI=1S/C11H23NO4/c1-11(2,14)9-12(7-8-15-3)6-5-10(13)16-4/h14H,5-9H2,1-4H3
InChIKeyJOJDCQOUFBIEER-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.27
Rot. Bonds8

About methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 115536395) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate
PubChem CID115536395
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Namemethyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)CC(C)(C)O
InChIInChI=1S/C11H23NO4/c1-11(2,14)9-12(7-8-15-3)6-5-10(13)16-4/h14H,5-9H2,1-4H3
InChIKeyJOJDCQOUFBIEER-UHFFFAOYSA-N
XLogP0.27
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
CID 62026400
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate
CID 115536455
methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate
CID 115281495
methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate
CID 82930234
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 78960557
methyl 3-[2-methoxyethyl(pent-4-ynyl)amino]propanoate
CID 112548452
methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate
CID 82892050
methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate
CID 78959557
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate (CID 115536395) is methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)CC(C)(C)O.
What is the InChIKey of methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is JOJDCQOUFBIEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-11(2,14)9-12(7-8-15-3)6-5-10(13)16-4/h14H,5-9H2,1-4H3.
What are the key properties of methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 233.31 g/mol, XLogP of 0.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115536395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).