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

C7H15NO3 — CID 129120149

IUPACmethyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate
SMILESCNCC(C)(CO)C(=O)OC
InChIInChI=1S/C7H15NO3/c1-7(5-9,4-8-2)6(10)11-3/h8-9H,4-5H2,1-3H3
InChIKeyGRTCHZAOXMSADE-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.62
Rot. Bonds4

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

methyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate (PubChem CID 129120149) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate
PubChem CID129120149
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate
SMILESCNCC(C)(CO)C(=O)OC
InChIInChI=1S/C7H15NO3/c1-7(5-9,4-8-2)6(10)11-3/h8-9H,4-5H2,1-3H3
InChIKeyGRTCHZAOXMSADE-UHFFFAOYSA-N
XLogP-0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(hydroxymethyl)azetidine-3-carboxylate hydrochloride
CID 145867231
3-(Hydroxymethyl)azetidine-3-carboxylic acid hydrochloride
CID 155822168
Methyl 3-amino-2-(hydroxymethyl)propanoate
CID 14151409
3-(Hydroxymethyl)azetidine-3-carboxylic acid
CID 70410357
Methyl 3-(hydroxymethyl)azetidine-3-carboxylate
CID 129981538
Methyl 3-[(3-hydroxypropyl)amino]propanoate
CID 10534984
3-Hydroxy-2-[(methylamino)methyl]propanoic acid
CID 89475353
Methyl 2-(aminomethyl)-3-hydroxy-2-methylpropanoate
CID 89985783
3-[3-(Methylamino)propoxy]propanoic acid
CID 118588473
3-Hydroxy-3-(methylamino)propanoic acid
CID 118900835
3-(Ethylamino)-3-hydroxypropanoic acid
CID 121354738
3-(Tert-butylamino)-3-hydroxypropanoic acid
CID 121354864

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate?
The IUPAC name of methyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate (CID 129120149) is methyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate?
The canonical SMILES for methyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate is CNCC(C)(CO)C(=O)OC.
What is the InChIKey of methyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate?
The InChIKey is GRTCHZAOXMSADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(5-9,4-8-2)6(10)11-3/h8-9H,4-5H2,1-3H3.
What are the key properties of methyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate?
methyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate has a molecular weight of 161.20 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate is sourced from PubChem (CID 129120149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).