methyl 3-[(2-hydroxyphenyl)methylamino]propanoate

C11H15NO3 — CID 43139758

IUPACmethyl 3-[(2-hydroxyphenyl)methylamino]propanoate
SMILESCOC(=O)CCNCc1ccccc1O
InChIInChI=1S/C11H15NO3/c1-15-11(14)6-7-12-8-9-4-2-3-5-10(9)13/h2-5,12-13H,6-8H2,1H3
InChIKeyIJCLSHFMEORJEV-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.04
Rot. Bonds5

About methyl 3-[(2-hydroxyphenyl)methylamino]propanoate

methyl 3-[(2-hydroxyphenyl)methylamino]propanoate (PubChem CID 43139758) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 3-[(2-hydroxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-hydroxyphenyl)methylamino]propanoate
PubChem CID43139758
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 3-[(2-hydroxyphenyl)methylamino]propanoate
SMILESCOC(=O)CCNCc1ccccc1O
InChIInChI=1S/C11H15NO3/c1-15-11(14)6-7-12-8-9-4-2-3-5-10(9)13/h2-5,12-13H,6-8H2,1H3
InChIKeyIJCLSHFMEORJEV-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(naphthalen-1-ylmethylamino)butanoate
CID 60676758
methyl 3-[[2-[2-[bis(prop-2-enyl)amino]ethyl]phenyl]methylamino]propanoate
CID 163658785
methyl 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63949511
methyl 4-[(5-bromo-2-hydroxyphenyl)methylamino]butanoate
CID 107737813
methyl 3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoate
CID 115232370
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
ethyl 3-[(2-fluorophenyl)methylamino]propanoate;hydrochloride
CID 126479427
methyl 2-[2-[(2-methylsulfanylethylamino)methyl]phenyl]acetate
CID 115462010
2-(ethylaminomethyl)phenol
CID 12995218
(2R)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820559
methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate
CID 43423411
methyl 2-[(2-ethylphenyl)methylamino]acetate
CID 62390681

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydroxyphenyl)methylamino]propanoate?
The IUPAC name of methyl 3-[(2-hydroxyphenyl)methylamino]propanoate (CID 43139758) is methyl 3-[(2-hydroxyphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-hydroxyphenyl)methylamino]propanoate?
The canonical SMILES for methyl 3-[(2-hydroxyphenyl)methylamino]propanoate is COC(=O)CCNCc1ccccc1O.
What is the InChIKey of methyl 3-[(2-hydroxyphenyl)methylamino]propanoate?
The InChIKey is IJCLSHFMEORJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-15-11(14)6-7-12-8-9-4-2-3-5-10(9)13/h2-5,12-13H,6-8H2,1H3.
What are the key properties of methyl 3-[(2-hydroxyphenyl)methylamino]propanoate?
methyl 3-[(2-hydroxyphenyl)methylamino]propanoate has a molecular weight of 209.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-hydroxyphenyl)methylamino]propanoate is sourced from PubChem (CID 43139758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).