methyl (2S)-2-(benzylamino)propanoate

C11H15NO2 — CID 10535780

IUPACmethyl (2S)-2-(benzylamino)propanoate
SMILESCOC(=O)[C@H](C)NCc1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(11(13)14-2)12-8-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/t9-/m0/s1
InChIKeyHIVDOHPKFIBYPZ-VIFPVBQESA-N
MW193.25 g/mol
LogP1.34
Rot. Bonds4

About methyl (2S)-2-(benzylamino)propanoate

methyl (2S)-2-(benzylamino)propanoate (PubChem CID 10535780) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl (2S)-2-(benzylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(benzylamino)propanoate
PubChem CID10535780
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl (2S)-2-(benzylamino)propanoate
SMILESCOC(=O)[C@H](C)NCc1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(11(13)14-2)12-8-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/t9-/m0/s1
InChIKeyHIVDOHPKFIBYPZ-VIFPVBQESA-N
XLogP1.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(benzylamino)propanoate?
The IUPAC name of methyl (2S)-2-(benzylamino)propanoate (CID 10535780) is methyl (2S)-2-(benzylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(benzylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(benzylamino)propanoate is COC(=O)[C@H](C)NCc1ccccc1.
What is the InChIKey of methyl (2S)-2-(benzylamino)propanoate?
The InChIKey is HIVDOHPKFIBYPZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(11(13)14-2)12-8-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-(benzylamino)propanoate?
methyl (2S)-2-(benzylamino)propanoate has a molecular weight of 193.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(benzylamino)propanoate is sourced from PubChem (CID 10535780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).