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

C11H15NO3 — CID 60780652

IUPACmethyl 2-[(3-hydroxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-8(11(14)15-2)12-7-9-4-3-5-10(13)6-9/h3-6,8,12-13H,7H2,1-2H3
InChIKeyCVTHOHTVYJBQMV-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.04
Rot. Bonds4

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

methyl 2-[(3-hydroxyphenyl)methylamino]propanoate (PubChem CID 60780652) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 2-[(3-hydroxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxyphenyl)methylamino]propanoate
PubChem CID60780652
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-[(3-hydroxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-8(11(14)15-2)12-7-9-4-3-5-10(13)6-9/h3-6,8,12-13H,7H2,1-2H3
InChIKeyCVTHOHTVYJBQMV-UHFFFAOYSA-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

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Related Compounds

methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
methyl (2S)-2-[(3-hydroxy-4-methoxyphenyl)methylamino]propanoate
CID 43723581
2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615288
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
CID 144688794
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
3-[(butan-2-ylamino)methyl]phenol
CID 43177331

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxyphenyl)methylamino]propanoate?
The IUPAC name of methyl 2-[(3-hydroxyphenyl)methylamino]propanoate (CID 60780652) is methyl 2-[(3-hydroxyphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(3-hydroxyphenyl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(3-hydroxyphenyl)methylamino]propanoate is COC(=O)C(C)NCc1cccc(O)c1.
What is the InChIKey of methyl 2-[(3-hydroxyphenyl)methylamino]propanoate?
The InChIKey is CVTHOHTVYJBQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(11(14)15-2)12-7-9-4-3-5-10(13)6-9/h3-6,8,12-13H,7H2,1-2H3.
What are the key properties of methyl 2-[(3-hydroxyphenyl)methylamino]propanoate?
methyl 2-[(3-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 2-[(3-hydroxyphenyl)methylamino]propanoate is sourced from PubChem (CID 60780652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).