1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one

C9H19NO2 — CID 18739773

IUPAC1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one
SMILESCC(C)NC(CO)C(=O)C(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)9(12)8(5-11)10-7(3)4/h6-8,10-11H,5H2,1-4H3
InChIKeyAQQLVUPTDWXJHN-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.57
Rot. Bonds5

About 1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one

1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one (PubChem CID 18739773) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one.

Molecular Properties

Compound Name1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one
PubChem CID18739773
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one
SMILESCC(C)NC(CO)C(=O)C(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)9(12)8(5-11)10-7(3)4/h6-8,10-11H,5H2,1-4H3
InChIKeyAQQLVUPTDWXJHN-UHFFFAOYSA-N
XLogP0.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one?
The IUPAC name of 1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one (CID 18739773) is 1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one.
What is the SMILES notation for 1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one?
The canonical SMILES for 1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one is CC(C)NC(CO)C(=O)C(C)C.
What is the InChIKey of 1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one?
The InChIKey is AQQLVUPTDWXJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)9(12)8(5-11)10-7(3)4/h6-8,10-11H,5H2,1-4H3.
What are the key properties of 1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one?
1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one has a molecular weight of 173.26 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one is sourced from PubChem (CID 18739773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).