methyl 2-aminopropanoate

C8H18N2O4 — CID 159707893

IUPACmethyl 2-aminopropanoate
SMILESCOC(=O)C(C)N.COC(=O)C(C)N
InChIInChI=1S/2C4H9NO2/c2*1-3(5)4(6)7-2/h2*3H,5H2,1-2H3
InChIKeyMYLKNCXBAWHRKF-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.99
Rot. Bonds2

About methyl 2-aminopropanoate

methyl 2-aminopropanoate (PubChem CID 159707893) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 2-aminopropanoate.

Molecular Properties

Compound Namemethyl 2-aminopropanoate
PubChem CID159707893
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Namemethyl 2-aminopropanoate
SMILESCOC(=O)C(C)N.COC(=O)C(C)N
InChIInChI=1S/2C4H9NO2/c2*1-3(5)4(6)7-2/h2*3H,5H2,1-2H3
InChIKeyMYLKNCXBAWHRKF-UHFFFAOYSA-N
XLogP-0.99
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate
CID 87889467
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
methyl (2S,3S)-3-amino-2-methylbutanoate
CID 55285448
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 2-methylpropanoate;titanium
CID 174633551
methyl 2-aminopropanoate;methyl 2-(propan-2-ylideneamino)propanoate;propan-2-imine;propan-2-one
CID 161380523
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
CID 86589108
CID 86589108
methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate
CID 174417154
(2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane
CID 57317568
methyl 2-[2-aminopropanoyl(methyl)amino]propanoate
CID 18723921
methyl (2S,3R)-2-amino-3-fluorobutanoate
CID 131009170

Frequently Asked Questions

What is the IUPAC name of methyl 2-aminopropanoate?
The IUPAC name of methyl 2-aminopropanoate (CID 159707893) is methyl 2-aminopropanoate.
What is the SMILES notation for methyl 2-aminopropanoate?
The canonical SMILES for methyl 2-aminopropanoate is COC(=O)C(C)N.COC(=O)C(C)N.
What is the InChIKey of methyl 2-aminopropanoate?
The InChIKey is MYLKNCXBAWHRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO2/c2*1-3(5)4(6)7-2/h2*3H,5H2,1-2H3.
What are the key properties of methyl 2-aminopropanoate?
methyl 2-aminopropanoate has a molecular weight of 206.24 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminopropanoate is sourced from PubChem (CID 159707893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).