[2-(2-aminoacetyl)phenyl] acetate

C10H11NO3 — CID 129189924

IUPAC[2-(2-aminoacetyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)CN
InChIInChI=1S/C10H11NO3/c1-7(12)14-10-5-3-2-4-8(10)9(13)6-11/h2-5H,6,11H2,1H3
InChIKeyUDDYYYMQHCORNS-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.75
Rot. Bonds3

About [2-(2-aminoacetyl)phenyl] acetate

[2-(2-aminoacetyl)phenyl] acetate (PubChem CID 129189924) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is [2-(2-aminoacetyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(2-aminoacetyl)phenyl] acetate
PubChem CID129189924
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name[2-(2-aminoacetyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)CN
InChIInChI=1S/C10H11NO3/c1-7(12)14-10-5-3-2-4-8(10)9(13)6-11/h2-5H,6,11H2,1H3
InChIKeyUDDYYYMQHCORNS-UHFFFAOYSA-N
XLogP0.75
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-hydroxyacetyl)phenyl] acetate
CID 101117820
2-acetyloxyethyl 2-acetyloxybenzoate
CID 91699041
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
[2-(2-aminoacetyl)phenyl] nonanoate
CID 18971010
6-(2-acetyloxybenzoyl)oxyhexyl 2-acetyloxybenzoate
CID 18720465
2-acetyloxybenzoic acid;ethene
CID 67877309
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
(2-acetyloxybenzoyl)-sulfanylazanium
CID 173416352
calcium;2-acetyloxybenzoate;urea
CID 23618458
[2-(methoxycarbamoyl)phenyl] acetate
CID 59130426
2-acetyloxybenzoic acid;azane;ethanol;hydrate
CID 174981083
ethyl 2-(2-aminoacetyl)benzoate
CID 18694028

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoacetyl)phenyl] acetate?
The IUPAC name of [2-(2-aminoacetyl)phenyl] acetate (CID 129189924) is [2-(2-aminoacetyl)phenyl] acetate.
What is the SMILES notation for [2-(2-aminoacetyl)phenyl] acetate?
The canonical SMILES for [2-(2-aminoacetyl)phenyl] acetate is CC(=O)Oc1ccccc1C(=O)CN.
What is the InChIKey of [2-(2-aminoacetyl)phenyl] acetate?
The InChIKey is UDDYYYMQHCORNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(12)14-10-5-3-2-4-8(10)9(13)6-11/h2-5H,6,11H2,1H3.
What are the key properties of [2-(2-aminoacetyl)phenyl] acetate?
[2-(2-aminoacetyl)phenyl] acetate has a molecular weight of 193.20 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoacetyl)phenyl] acetate is sourced from PubChem (CID 129189924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).