methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate

C11H23NO4 — CID 79406690

IUPACmethyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate
SMILESCOCC(O)CN(C)C(C)C(C)C(=O)OC
InChIInChI=1S/C11H23NO4/c1-8(11(14)16-5)9(2)12(3)6-10(13)7-15-4/h8-10,13H,6-7H2,1-5H3
InChIKeyXDMNYCRAARKGBG-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.12
Rot. Bonds7

About methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate

methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate (PubChem CID 79406690) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate
PubChem CID79406690
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Namemethyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate
SMILESCOCC(O)CN(C)C(C)C(C)C(=O)OC
InChIInChI=1S/C11H23NO4/c1-8(11(14)16-5)9(2)12(3)6-10(13)7-15-4/h8-10,13H,6-7H2,1-5H3
InChIKeyXDMNYCRAARKGBG-UHFFFAOYSA-N
XLogP0.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide
CID 103229676
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid
CID 103224662
1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol
CID 106991752
1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
CID 115752194
methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate
CID 79406836
methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate
CID 43570291
2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylpropanamide
CID 81089598
2-methyl-3-[methyl(2-methylpropyl)amino]butanehydrazide
CID 79409646
N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462618
methyl 3-[(4-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406233
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
CID 79406364
N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462496

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate?
The IUPAC name of methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate (CID 79406690) is methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate is COCC(O)CN(C)C(C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate?
The InChIKey is XDMNYCRAARKGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-8(11(14)16-5)9(2)12(3)6-10(13)7-15-4/h8-10,13H,6-7H2,1-5H3.
What are the key properties of methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate?
methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate has a molecular weight of 233.31 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate is sourced from PubChem (CID 79406690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).