methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate

C11H15NO3 — CID 43723616

IUPACmethyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
SMILESCOC(=O)[C@H](C)NCc1ccccc1O
InChIInChI=1S/C11H15NO3/c1-8(11(14)15-2)12-7-9-5-3-4-6-10(9)13/h3-6,8,12-13H,7H2,1-2H3/t8-/m0/s1
InChIKeyGFYYFTHUQFUFNK-QMMMGPOBSA-N
MW209.25 g/mol
LogP1.04
Rot. Bonds4

About methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate

methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate (PubChem CID 43723616) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
PubChem CID43723616
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
SMILESCOC(=O)[C@H](C)NCc1ccccc1O
InChIInChI=1S/C11H15NO3/c1-8(11(14)15-2)12-7-9-5-3-4-6-10(9)13/h3-6,8,12-13H,7H2,1-2H3/t8-/m0/s1
InChIKeyGFYYFTHUQFUFNK-QMMMGPOBSA-N
XLogP1.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate
CID 142473435
methyl 2-[(2-bromophenyl)methylamino]propanoate
CID 60691069
methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate
CID 66172279
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide
CID 115774727
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617
N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
CID 18546205
methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate
CID 19801625
methyl 3-[(2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 114332021
ethyl 2-[(2-ethylphenyl)methylamino]propanoate
CID 62391416

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate (CID 43723616) is methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate is COC(=O)[C@H](C)NCc1ccccc1O.
What is the InChIKey of methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate?
The InChIKey is GFYYFTHUQFUFNK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(11(14)15-2)12-7-9-5-3-4-6-10(9)13/h3-6,8,12-13H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate?
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate has a molecular weight of 209.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate is sourced from PubChem (CID 43723616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).