4-amino-2-hydroxy-1-phenylbutan-1-one

C10H13NO2 — CID 57182499

IUPAC4-amino-2-hydroxy-1-phenylbutan-1-one
SMILESNCCC(O)C(=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c11-7-6-9(12)10(13)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2
InChIKeyPZLFZKAYLBYRFF-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.58
Rot. Bonds4

About 4-amino-2-hydroxy-1-phenylbutan-1-one

4-amino-2-hydroxy-1-phenylbutan-1-one (PubChem CID 57182499) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-amino-2-hydroxy-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-amino-2-hydroxy-1-phenylbutan-1-one
PubChem CID57182499
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-amino-2-hydroxy-1-phenylbutan-1-one
SMILESNCCC(O)C(=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c11-7-6-9(12)10(13)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2
InChIKeyPZLFZKAYLBYRFF-UHFFFAOYSA-N
XLogP0.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-hydroxy-1-phenylbutan-1-one?
The IUPAC name of 4-amino-2-hydroxy-1-phenylbutan-1-one (CID 57182499) is 4-amino-2-hydroxy-1-phenylbutan-1-one.
What is the SMILES notation for 4-amino-2-hydroxy-1-phenylbutan-1-one?
The canonical SMILES for 4-amino-2-hydroxy-1-phenylbutan-1-one is NCCC(O)C(=O)c1ccccc1.
What is the InChIKey of 4-amino-2-hydroxy-1-phenylbutan-1-one?
The InChIKey is PZLFZKAYLBYRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-7-6-9(12)10(13)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2.
What are the key properties of 4-amino-2-hydroxy-1-phenylbutan-1-one?
4-amino-2-hydroxy-1-phenylbutan-1-one has a molecular weight of 179.22 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-hydroxy-1-phenylbutan-1-one is sourced from PubChem (CID 57182499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).