2-amino-4-hydroxypentan-3-one

C5H11NO2 — CID 22506513

IUPAC2-amino-4-hydroxypentan-3-one
SMILESCC(N)C(=O)C(C)O
InChIInChI=1S/C5H11NO2/c1-3(6)5(8)4(2)7/h3-4,7H,6H2,1-2H3
InChIKeyRZFAWVJEKLQICS-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.72
Rot. Bonds2

About 2-amino-4-hydroxypentan-3-one

2-amino-4-hydroxypentan-3-one (PubChem CID 22506513) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-amino-4-hydroxypentan-3-one.

Molecular Properties

Compound Name2-amino-4-hydroxypentan-3-one
PubChem CID22506513
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-amino-4-hydroxypentan-3-one
SMILESCC(N)C(=O)C(C)O
InChIInChI=1S/C5H11NO2/c1-3(6)5(8)4(2)7/h3-4,7H,6H2,1-2H3
InChIKeyRZFAWVJEKLQICS-UHFFFAOYSA-N
XLogP-0.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxypentan-3-one?
The IUPAC name of 2-amino-4-hydroxypentan-3-one (CID 22506513) is 2-amino-4-hydroxypentan-3-one.
What is the SMILES notation for 2-amino-4-hydroxypentan-3-one?
The canonical SMILES for 2-amino-4-hydroxypentan-3-one is CC(N)C(=O)C(C)O.
What is the InChIKey of 2-amino-4-hydroxypentan-3-one?
The InChIKey is RZFAWVJEKLQICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3(6)5(8)4(2)7/h3-4,7H,6H2,1-2H3.
What are the key properties of 2-amino-4-hydroxypentan-3-one?
2-amino-4-hydroxypentan-3-one has a molecular weight of 117.15 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxypentan-3-one is sourced from PubChem (CID 22506513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).