methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate

C6H13NO3 — CID 126976728

IUPACmethyl 3-hydroxy-2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(CO)C(=O)OC
InChIInChI=1S/C6H13NO3/c1-6(4-8,7-2)5(9)10-3/h7-8H,4H2,1-3H3
InChIKeyVBLZZHKSDAHTJP-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.87
Rot. Bonds3

About methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate

methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate (PubChem CID 126976728) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methyl-2-(methylamino)propanoate
PubChem CID126976728
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl 3-hydroxy-2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(CO)C(=O)OC
InChIInChI=1S/C6H13NO3/c1-6(4-8,7-2)5(9)10-3/h7-8H,4H2,1-3H3
InChIKeyVBLZZHKSDAHTJP-UHFFFAOYSA-N
XLogP-0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate
CID 59377336
methyl 2,4,4-trimethyl-2-(methylamino)pentanoate
CID 134267857
methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
CID 64711400
methyl 2-methyl-2-((111C)methylamino)propanoate
CID 10534687
methyl 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)propanoate
CID 107771732
methyl 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanoate
CID 66138649
methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
CID 102152083
methyl 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanoate
CID 107771758
methyl 2-methyl-2-(methylamino)-4-(3-methylbutoxy)pentanoate
CID 64706329
methyl 2-methyl-2-(methylamino)-4-(3-methylbutylsulfanyl)butanoate
CID 107756180
methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate
CID 107709939
3-hydroxy-2,2-dimethylpropanoic acid;methyl 3-hydroxy-2,2-dimethylpropanoate
CID 159359764

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate (CID 126976728) is methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate is CNC(C)(CO)C(=O)OC.
What is the InChIKey of methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate?
The InChIKey is VBLZZHKSDAHTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(4-8,7-2)5(9)10-3/h7-8H,4H2,1-3H3.
What are the key properties of methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate?
methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate has a molecular weight of 147.17 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 126976728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).