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

C4H9NO3 — CID 2723731

IUPACmethyl (2S)-2-amino-3-hydroxypropanoate
SMILESCOC(=O)[C@@H](N)CO
InChIInChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1
InChIKeyANSUDRATXSJBLY-VKHMYHEASA-N
MW119.12 g/mol
LogP-1.52
Rot. Bonds2

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

methyl (2S)-2-amino-3-hydroxypropanoate (PubChem CID 2723731) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-hydroxypropanoate
PubChem CID2723731
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Namemethyl (2S)-2-amino-3-hydroxypropanoate
SMILESCOC(=O)[C@@H](N)CO
InChIInChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1
InChIKeyANSUDRATXSJBLY-VKHMYHEASA-N
XLogP-1.52
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-hydroxypropanoate?
The IUPAC name of methyl (2S)-2-amino-3-hydroxypropanoate (CID 2723731) is methyl (2S)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-hydroxypropanoate?
The canonical SMILES for methyl (2S)-2-amino-3-hydroxypropanoate is COC(=O)[C@@H](N)CO.
What is the InChIKey of methyl (2S)-2-amino-3-hydroxypropanoate?
The InChIKey is ANSUDRATXSJBLY-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-hydroxypropanoate?
methyl (2S)-2-amino-3-hydroxypropanoate has a molecular weight of 119.12 g/mol, XLogP of -1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 2723731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).