1-amino-3-hydroxypentan-2-one

C5H11NO2 — CID 126711973

IUPAC1-amino-3-hydroxypentan-2-one
SMILESCCC(O)C(=O)CN
InChIInChI=1S/C5H11NO2/c1-2-4(7)5(8)3-6/h4,7H,2-3,6H2,1H3
InChIKeyRMAWBLSUMBEYEV-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.71
Rot. Bonds3

About 1-amino-3-hydroxypentan-2-one

1-amino-3-hydroxypentan-2-one (PubChem CID 126711973) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-amino-3-hydroxypentan-2-one.

Molecular Properties

Compound Name1-amino-3-hydroxypentan-2-one
PubChem CID126711973
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-amino-3-hydroxypentan-2-one
SMILESCCC(O)C(=O)CN
InChIInChI=1S/C5H11NO2/c1-2-4(7)5(8)3-6/h4,7H,2-3,6H2,1H3
InChIKeyRMAWBLSUMBEYEV-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 1-amino-3-hydroxypentan-2-one?
The IUPAC name of 1-amino-3-hydroxypentan-2-one (CID 126711973) is 1-amino-3-hydroxypentan-2-one.
What is the SMILES notation for 1-amino-3-hydroxypentan-2-one?
The canonical SMILES for 1-amino-3-hydroxypentan-2-one is CCC(O)C(=O)CN.
What is the InChIKey of 1-amino-3-hydroxypentan-2-one?
The InChIKey is RMAWBLSUMBEYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-4(7)5(8)3-6/h4,7H,2-3,6H2,1H3.
What are the key properties of 1-amino-3-hydroxypentan-2-one?
1-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 1-amino-3-hydroxypentan-2-one is sourced from PubChem (CID 126711973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).