[3-(2-amino-3-hydroxypropyl)phenyl] acetate

C11H15NO3 — CID 170892004

IUPAC[3-(2-amino-3-hydroxypropyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(CC(N)CO)c1
InChIInChI=1S/C11H15NO3/c1-8(14)15-11-4-2-3-9(6-11)5-10(12)7-13/h2-4,6,10,13H,5,7,12H2,1H3
InChIKeyFLESCWDBLMRCJU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.47
Rot. Bonds4

About [3-(2-amino-3-hydroxypropyl)phenyl] acetate

[3-(2-amino-3-hydroxypropyl)phenyl] acetate (PubChem CID 170892004) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is [3-(2-amino-3-hydroxypropyl)phenyl] acetate.

Molecular Properties

Compound Name[3-(2-amino-3-hydroxypropyl)phenyl] acetate
PubChem CID170892004
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name[3-(2-amino-3-hydroxypropyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(CC(N)CO)c1
InChIInChI=1S/C11H15NO3/c1-8(14)15-11-4-2-3-9(6-11)5-10(12)7-13/h2-4,6,10,13H,5,7,12H2,1H3
InChIKeyFLESCWDBLMRCJU-UHFFFAOYSA-N
XLogP0.47
TPSA72.55 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 ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
[2-acetyloxy-4-(2-amino-3-hydroxypropyl)phenyl] acetate
CID 170892206
2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893627
2-amino-3-[3-(2-amino-3-phenylpropanoyl)oxyphenyl]propanoic acid
CID 129143949
(3-propylphenyl) acetate
CID 44589271
2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol
CID 170893180
[4-[(2S)-2-amino-3-hydroxypropyl]-2-formylphenyl] acetate
CID 131699147
methyl (2S)-2-amino-3-(3-propan-2-yloxyphenyl)propanoate
CID 171238413
[3-(3-iodopropyl)phenyl] acetate
CID 68985317
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
[3-(isocyanatomethyl)phenyl] acetate
CID 22661222
[3-[(1S)-1,3-diaminopropyl]phenyl] acetate
CID 171229323

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-3-hydroxypropyl)phenyl] acetate?
The IUPAC name of [3-(2-amino-3-hydroxypropyl)phenyl] acetate (CID 170892004) is [3-(2-amino-3-hydroxypropyl)phenyl] acetate.
What is the SMILES notation for [3-(2-amino-3-hydroxypropyl)phenyl] acetate?
The canonical SMILES for [3-(2-amino-3-hydroxypropyl)phenyl] acetate is CC(=O)Oc1cccc(CC(N)CO)c1.
What is the InChIKey of [3-(2-amino-3-hydroxypropyl)phenyl] acetate?
The InChIKey is FLESCWDBLMRCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(14)15-11-4-2-3-9(6-11)5-10(12)7-13/h2-4,6,10,13H,5,7,12H2,1H3.
What are the key properties of [3-(2-amino-3-hydroxypropyl)phenyl] acetate?
[3-(2-amino-3-hydroxypropyl)phenyl] acetate has a molecular weight of 209.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-3-hydroxypropyl)phenyl] acetate is sourced from PubChem (CID 170892004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).