methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate

C12H17NO3 — CID 117243253

IUPACmethyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate
SMILESCOC(=O)C(CN(C)C)c1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-13(2)8-11(12(15)16-3)9-5-4-6-10(14)7-9/h4-7,11,14H,8H2,1-3H3
InChIKeyFWKANFCMIQDROY-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.21
Rot. Bonds4

About methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate

methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate (PubChem CID 117243253) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate
PubChem CID117243253
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate
SMILESCOC(=O)C(CN(C)C)c1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-13(2)8-11(12(15)16-3)9-5-4-6-10(14)7-9/h4-7,11,14H,8H2,1-3H3
InChIKeyFWKANFCMIQDROY-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-hydroxyphenyl)-3-methylsulfanylpropanoate
CID 117243533
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate
CID 171863514
3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol
CID 70853706
methyl 3-[bis(2-amino-2-oxoethyl)amino]-2-phenylpropanoate
CID 64567726
methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate
CID 105467363
methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
CID 64567687
4-(dimethylamino)-3-(3-methylphenyl)butan-2-one
CID 57465216
2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
CID 117243248
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
2,2,2-trifluoro-N-methyl-N-[(2R)-4,4,4-trifluoro-2-(3-hydroxyphenyl)-3-oxobutyl]acetamide
CID 129014050
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid
CID 67420413

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate?
The IUPAC name of methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate (CID 117243253) is methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate is COC(=O)C(CN(C)C)c1cccc(O)c1.
What is the InChIKey of methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate?
The InChIKey is FWKANFCMIQDROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13(2)8-11(12(15)16-3)9-5-4-6-10(14)7-9/h4-7,11,14H,8H2,1-3H3.
What are the key properties of methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate?
methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate has a molecular weight of 223.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate is sourced from PubChem (CID 117243253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).