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

C11H15NO3 — CID 11790456

IUPACmethyl (2S)-2-(benzylamino)-3-hydroxypropanoate
SMILESCOC(=O)[C@H](CO)NCc1ccccc1
InChIInChI=1S/C11H15NO3/c1-15-11(14)10(8-13)12-7-9-5-3-2-4-6-9/h2-6,10,12-13H,7-8H2,1H3/t10-/m0/s1
InChIKeyGMZGWPPEZCREPP-JTQLQIEISA-N
MW209.25 g/mol
LogP0.31
Rot. Bonds5

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

methyl (2S)-2-(benzylamino)-3-hydroxypropanoate (PubChem CID 11790456) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl (2S)-2-(benzylamino)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(benzylamino)-3-hydroxypropanoate
PubChem CID11790456
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl (2S)-2-(benzylamino)-3-hydroxypropanoate
SMILESCOC(=O)[C@H](CO)NCc1ccccc1
InChIInChI=1S/C11H15NO3/c1-15-11(14)10(8-13)12-7-9-5-3-2-4-6-9/h2-6,10,12-13H,7-8H2,1H3/t10-/m0/s1
InChIKeyGMZGWPPEZCREPP-JTQLQIEISA-N
XLogP0.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(benzylamino)-3-hydroxypropanoate?
The IUPAC name of methyl (2S)-2-(benzylamino)-3-hydroxypropanoate (CID 11790456) is methyl (2S)-2-(benzylamino)-3-hydroxypropanoate.
What is the SMILES notation for methyl (2S)-2-(benzylamino)-3-hydroxypropanoate?
The canonical SMILES for methyl (2S)-2-(benzylamino)-3-hydroxypropanoate is COC(=O)[C@H](CO)NCc1ccccc1.
What is the InChIKey of methyl (2S)-2-(benzylamino)-3-hydroxypropanoate?
The InChIKey is GMZGWPPEZCREPP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3/c1-15-11(14)10(8-13)12-7-9-5-3-2-4-6-9/h2-6,10,12-13H,7-8H2,1H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-(benzylamino)-3-hydroxypropanoate?
methyl (2S)-2-(benzylamino)-3-hydroxypropanoate has a molecular weight of 209.25 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(benzylamino)-3-hydroxypropanoate is sourced from PubChem (CID 11790456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).