methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate

C9H19NO3 — CID 104552508

IUPACmethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(C)CO
InChIInChI=1S/C9H19NO3/c1-7(9(12)13-4)5-10(3)8(2)6-11/h7-8,11H,5-6H2,1-4H3
InChIKeyAWSAMGVBEOFRPI-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.11
Rot. Bonds5

About methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate

methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate (PubChem CID 104552508) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
PubChem CID104552508
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(C)CO
InChIInChI=1S/C9H19NO3/c1-7(9(12)13-4)5-10(3)8(2)6-11/h7-8,11H,5-6H2,1-4H3
InChIKeyAWSAMGVBEOFRPI-UHFFFAOYSA-N
XLogP0.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(bis(2-hydroxyethyl)amino)propanoate
CID 11206303
Methyl 3-[(2-methoxycarbonylethyl)(3-hydroxypropyl)amino]propionate
CID 21872339
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]propanoic acid
CID 80996113
3,3,3-Trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanoic acid
CID 80996219
3,3,3-Trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanoic acid
CID 80996330
2-[[Ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 80996536
2-[[Butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 80996864
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]propanoic acid
CID 80996969
3,3,3-Trifluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]propanoic acid
CID 80997081
3,3,3-Trifluoro-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]propanoic acid
CID 80997191
3,3,3-Trifluoro-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanoic acid
CID 80997408
3,3,3-Trifluoro-2-[[2-methoxyethyl(propan-2-yl)amino]methyl]propanoic acid
CID 82950960

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate (CID 104552508) is methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(C)CO.
What is the InChIKey of methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate?
The InChIKey is AWSAMGVBEOFRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(9(12)13-4)5-10(3)8(2)6-11/h7-8,11H,5-6H2,1-4H3.
What are the key properties of methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate?
methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate has a molecular weight of 189.25 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 104552508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).