5-amino-3-hydroxypentan-2-one

C5H11NO2 — CID 72526116

IUPAC5-amino-3-hydroxypentan-2-one
SMILESCC(=O)C(O)CCN
InChIInChI=1S/C5H11NO2/c1-4(7)5(8)2-3-6/h5,8H,2-3,6H2,1H3
InChIKeyPFHVMGZAPPMWPH-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.71
Rot. Bonds3

About 5-amino-3-hydroxypentan-2-one

5-amino-3-hydroxypentan-2-one (PubChem CID 72526116) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 5-amino-3-hydroxypentan-2-one.

Molecular Properties

Compound Name5-amino-3-hydroxypentan-2-one
PubChem CID72526116
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name5-amino-3-hydroxypentan-2-one
SMILESCC(=O)C(O)CCN
InChIInChI=1S/C5H11NO2/c1-4(7)5(8)2-3-6/h5,8H,2-3,6H2,1H3
InChIKeyPFHVMGZAPPMWPH-UHFFFAOYSA-N
XLogP-0.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-hydroxypentan-2-one?
The IUPAC name of 5-amino-3-hydroxypentan-2-one (CID 72526116) is 5-amino-3-hydroxypentan-2-one.
What is the SMILES notation for 5-amino-3-hydroxypentan-2-one?
The canonical SMILES for 5-amino-3-hydroxypentan-2-one is CC(=O)C(O)CCN.
What is the InChIKey of 5-amino-3-hydroxypentan-2-one?
The InChIKey is PFHVMGZAPPMWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(7)5(8)2-3-6/h5,8H,2-3,6H2,1H3.
What are the key properties of 5-amino-3-hydroxypentan-2-one?
5-amino-3-hydroxypentan-2-one has a molecular weight of 117.15 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-hydroxypentan-2-one is sourced from PubChem (CID 72526116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).