[(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate

C11H15NO3 — CID 171394362

IUPAC[(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate
SMILESCNC[C@H](OC(C)=O)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-8(13)15-11(7-12-2)9-4-3-5-10(14)6-9/h3-6,11-12,14H,7H2,1-2H3/t11-/m0/s1
InChIKeyOAUWYIMUEDORPN-NSHDSACASA-N
MW209.24 g/mol
LogP1.22
Rot. Bonds4

About [(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate

[(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate (PubChem CID 171394362) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is [(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate
PubChem CID171394362
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name[(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate
SMILESCNC[C@H](OC(C)=O)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-8(13)15-11(7-12-2)9-4-3-5-10(14)6-9/h3-6,11-12,14H,7H2,1-2H3/t11-/m0/s1
InChIKeyOAUWYIMUEDORPN-NSHDSACASA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
CID 117243248
[4-[1-acetyloxy-2-(methylamino)ethyl]phenyl] acetate;hydrochloride
CID 67440195
[2-(ethylamino)-1-(3-hydroxyphenyl)ethyl] 2,2-dimethylpropanoate;hydrochloride
CID 138399567
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
3-[(1R)-1-deuterio-1-hydroxy-2-(methylamino)ethyl]phenol
CID 59348047
(Z)-but-2-enedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 68717826
3-(3-hydroxyphenyl)-3-methoxypropanoic acid
CID 83831133
[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
CID 54509010
[(3-hydroxyphenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl] acetate
CID 152504774
[2-(tert-butylamino)-1-phenylethyl] acetate
CID 174893597
methyl (3R)-3-acetyloxy-3-(3-chlorophenyl)propanoate
CID 102599434
methyl 2-(3-hydroxyphenyl)-3-methylsulfanylpropanoate
CID 117243533

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate?
The IUPAC name of [(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate (CID 171394362) is [(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate.
What is the SMILES notation for [(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate?
The canonical SMILES for [(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate is CNC[C@H](OC(C)=O)c1cccc(O)c1.
What is the InChIKey of [(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate?
The InChIKey is OAUWYIMUEDORPN-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(13)15-11(7-12-2)9-4-3-5-10(14)6-9/h3-6,11-12,14H,7H2,1-2H3/t11-/m0/s1.
What are the key properties of [(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate?
[(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate has a molecular weight of 209.24 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate is sourced from PubChem (CID 171394362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).