methyl 2-hydroxy-3-(methylamino)propanoate

C5H11NO3 — CID 86646378

IUPACmethyl 2-hydroxy-3-(methylamino)propanoate
SMILESCNCC(O)C(=O)OC
InChIInChI=1S/C5H11NO3/c1-6-3-4(7)5(8)9-2/h4,6-7H,3H2,1-2H3
InChIKeyANBROQGMNRIZHY-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.26
Rot. Bonds3

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

methyl 2-hydroxy-3-(methylamino)propanoate (PubChem CID 86646378) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(methylamino)propanoate
PubChem CID86646378
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namemethyl 2-hydroxy-3-(methylamino)propanoate
SMILESCNCC(O)C(=O)OC
InChIInChI=1S/C5H11NO3/c1-6-3-4(7)5(8)9-2/h4,6-7H,3H2,1-2H3
InChIKeyANBROQGMNRIZHY-UHFFFAOYSA-N
XLogP-1.26
TPSA58.56 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 ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-3-(methylamino)propanoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-hydroxy-3-(propan-2-ylamino)propanoate
CID 103491574
methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate
CID 103491402
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
CID 103846044
methyl 2-hydroxypentanoate
CID 543619
dimethyl (2R)-2-hydroxy-4-methylidenepentanedioate
CID 88938742
methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate
CID 107886724
methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate
CID 107222707
methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate
CID 103946924
methyl 4-bromo-2-hydroxybutanoate
CID 19019154
(2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium
CID 21121189
methyl (2R)-2-hydroxy-4,4-dimethylpentanoate
CID 59424547

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(methylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(methylamino)propanoate (CID 86646378) is methyl 2-hydroxy-3-(methylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(methylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(methylamino)propanoate is CNCC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-(methylamino)propanoate?
The InChIKey is ANBROQGMNRIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6-3-4(7)5(8)9-2/h4,6-7H,3H2,1-2H3.
What are the key properties of methyl 2-hydroxy-3-(methylamino)propanoate?
methyl 2-hydroxy-3-(methylamino)propanoate has a molecular weight of 133.15 g/mol, XLogP of -1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(methylamino)propanoate is sourced from PubChem (CID 86646378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).