2-amino-2-hydroxy-1-phenylethanone

C8H9NO2 — CID 19373920

IUPAC2-amino-2-hydroxy-1-phenylethanone
SMILESNC(O)C(=O)c1ccccc1
InChIInChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,8,11H,9H2
InChIKeyCODXUYXNVGWMGY-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.15
Rot. Bonds2

About 2-amino-2-hydroxy-1-phenylethanone

2-amino-2-hydroxy-1-phenylethanone (PubChem CID 19373920) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-amino-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name2-amino-2-hydroxy-1-phenylethanone
PubChem CID19373920
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-amino-2-hydroxy-1-phenylethanone
SMILESNC(O)C(=O)c1ccccc1
InChIInChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,8,11H,9H2
InChIKeyCODXUYXNVGWMGY-UHFFFAOYSA-N
XLogP0.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

alpha-Hydroxyacetophenone
CID 68490
2-Hydroxy-1-phenyl-1-propanone
CID 101121
N-(1-hydroxy-2-oxo-2-phenylethyl)acetamide
CID 2830273
N-(1-Hydroxy-2-oxo-2-phenyl-ethyl)-benzamide
CID 2830272
Ethyl [2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate
CID 3101990
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide
CID 3312295
1-Propanone, 2-hydroxy-1-phenyl-, (2R)-
CID 11804935
(S)-2-hydroxypropiophenone
CID 10130043
2-Hydroxy-1-phenylbutan-1-one
CID 569922
(2R)-2-hydroxy-1-phenylbutan-1-one
CID 11789551
Methyl (1-hydroxy-2-oxo-2-phenylethyl)carbamate
CID 2834556
(2E)-N-(1-hydroxy-2-oxo-2-phenylethyl)-3-phenylprop-2-enamide
CID 5760115

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-hydroxy-1-phenylethanone?
The IUPAC name of 2-amino-2-hydroxy-1-phenylethanone (CID 19373920) is 2-amino-2-hydroxy-1-phenylethanone.
What is the SMILES notation for 2-amino-2-hydroxy-1-phenylethanone?
The canonical SMILES for 2-amino-2-hydroxy-1-phenylethanone is NC(O)C(=O)c1ccccc1.
What is the InChIKey of 2-amino-2-hydroxy-1-phenylethanone?
The InChIKey is CODXUYXNVGWMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,8,11H,9H2.
What are the key properties of 2-amino-2-hydroxy-1-phenylethanone?
2-amino-2-hydroxy-1-phenylethanone has a molecular weight of 151.16 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 19373920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).