[5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate

C11H15NO4 — CID 66514971

IUPAC[5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate
SMILESCOc1ccc([C@@H](N)CO)cc1OC(C)=O
InChIInChI=1S/C11H15NO4/c1-7(14)16-11-5-8(9(12)6-13)3-4-10(11)15-2/h3-5,9,13H,6,12H2,1-2H3/t9-/m0/s1
InChIKeyJKPWNYBLILCNKP-VIFPVBQESA-N
MW225.24 g/mol
LogP0.61
Rot. Bonds4

About [5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate

[5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate (PubChem CID 66514971) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is [5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate
PubChem CID66514971
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name[5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate
SMILESCOc1ccc([C@@H](N)CO)cc1OC(C)=O
InChIInChI=1S/C11H15NO4/c1-7(14)16-11-5-8(9(12)6-13)3-4-10(11)15-2/h3-5,9,13H,6,12H2,1-2H3/t9-/m0/s1
InChIKeyJKPWNYBLILCNKP-VIFPVBQESA-N
XLogP0.61
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl] acetate;hydrochloride
CID 171233758
[4-[(1S)-1,3-diaminopropyl]-2-methoxyphenyl] acetate;hydrochloride
CID 171230459
[4-[(1S)-1-amino-3-fluoropropyl]-2-methoxyphenyl] acetate;hydrochloride
CID 171230487
[4-[(1R)-1-amino-3-methylbut-3-enyl]-2-methoxyphenyl] acetate;hydrochloride
CID 171210902
[4-[(1R)-1-amino-2,2-dimethylpropyl]-2-methoxyphenyl] acetate
CID 171250068
(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
CID 66514880
[4-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-methoxyphenyl] acetate;hydrochloride
CID 171250065
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843

Frequently Asked Questions

What is the IUPAC name of [5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate?
The IUPAC name of [5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate (CID 66514971) is [5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate is COc1ccc([C@@H](N)CO)cc1OC(C)=O.
What is the InChIKey of [5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate?
The InChIKey is JKPWNYBLILCNKP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(14)16-11-5-8(9(12)6-13)3-4-10(11)15-2/h3-5,9,13H,6,12H2,1-2H3/t9-/m0/s1.
What are the key properties of [5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate?
[5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate has a molecular weight of 225.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 66514971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).