methyl (2S)-2-amino-3-methoxypropanoate

C5H11NO3 — CID 11182627

IUPACmethyl (2S)-2-amino-3-methoxypropanoate
SMILESCOC[C@H](N)C(=O)OC
InChIInChI=1S/C5H11NO3/c1-8-3-4(6)5(7)9-2/h4H,3,6H2,1-2H3/t4-/m0/s1
InChIKeyYDZUJIKUFFJJBR-BYPYZUCNSA-N
MW133.15 g/mol
LogP-0.87
Rot. Bonds3

About methyl (2S)-2-amino-3-methoxypropanoate

methyl (2S)-2-amino-3-methoxypropanoate (PubChem CID 11182627) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-methoxypropanoate
PubChem CID11182627
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namemethyl (2S)-2-amino-3-methoxypropanoate
SMILESCOC[C@H](N)C(=O)OC
InChIInChI=1S/C5H11NO3/c1-8-3-4(6)5(7)9-2/h4H,3,6H2,1-2H3/t4-/m0/s1
InChIKeyYDZUJIKUFFJJBR-BYPYZUCNSA-N
XLogP-0.87
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-amino-3-methoxypropanoate 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 (2S)-2-amino-3-(trideuteriomethoxy)propanoate
CID 170585123
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
methyl (2S)-2-amino-3-chloropropanoate;hydrochloride
CID 13050342
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride
CID 2763147
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841
methyl 2-amino-5,5-dimethyl-4-oxohexanoate;hydrochloride
CID 105481491
methyl (2S)-2-[(2-amino-3-methoxypropanoyl)amino]-3-methylbutanoate
CID 81083004
methyl 2-amino-3-selanylpropanoate
CID 174947260
methyl (2R)-2-amino-3-[[(2R)-2-amino-3-methoxy-3-oxopropyl]ditellanyl]propanoate
CID 10813791

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-methoxypropanoate?
The IUPAC name of methyl (2S)-2-amino-3-methoxypropanoate (CID 11182627) is methyl (2S)-2-amino-3-methoxypropanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-methoxypropanoate?
The canonical SMILES for methyl (2S)-2-amino-3-methoxypropanoate is COC[C@H](N)C(=O)OC.
What is the InChIKey of methyl (2S)-2-amino-3-methoxypropanoate?
The InChIKey is YDZUJIKUFFJJBR-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO3/c1-8-3-4(6)5(7)9-2/h4H,3,6H2,1-2H3/t4-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-methoxypropanoate?
methyl (2S)-2-amino-3-methoxypropanoate has a molecular weight of 133.15 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-methoxypropanoate is sourced from PubChem (CID 11182627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).