methyl 2-(aminomethyl)-3-hydroxypropanoate

C5H11NO3 — CID 14151409

IUPACmethyl 2-(aminomethyl)-3-hydroxypropanoate
SMILESCOC(=O)C(CN)CO
InChIInChI=1S/C5H11NO3/c1-9-5(8)4(2-6)3-7/h4,7H,2-3,6H2,1H3
InChIKeyQGEXWJATZAUVHN-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.27
Rot. Bonds3

About methyl 2-(aminomethyl)-3-hydroxypropanoate

methyl 2-(aminomethyl)-3-hydroxypropanoate (PubChem CID 14151409) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3-hydroxypropanoate
PubChem CID14151409
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namemethyl 2-(aminomethyl)-3-hydroxypropanoate
SMILESCOC(=O)C(CN)CO
InChIInChI=1S/C5H11NO3/c1-9-5(8)4(2-6)3-7/h4,7H,2-3,6H2,1H3
InChIKeyQGEXWJATZAUVHN-UHFFFAOYSA-N
XLogP-1.27
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-(aminomethyl)-3-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3-hydroxypropanoate?
The IUPAC name of methyl 2-(aminomethyl)-3-hydroxypropanoate (CID 14151409) is methyl 2-(aminomethyl)-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-3-hydroxypropanoate?
The canonical SMILES for methyl 2-(aminomethyl)-3-hydroxypropanoate is COC(=O)C(CN)CO.
What is the InChIKey of methyl 2-(aminomethyl)-3-hydroxypropanoate?
The InChIKey is QGEXWJATZAUVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-9-5(8)4(2-6)3-7/h4,7H,2-3,6H2,1H3.
What are the key properties of methyl 2-(aminomethyl)-3-hydroxypropanoate?
methyl 2-(aminomethyl)-3-hydroxypropanoate has a molecular weight of 133.15 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-3-hydroxypropanoate is sourced from PubChem (CID 14151409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).