5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one

C11H20N4O2 — CID 70018268

IUPAC5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one
SMILESNCCCC(O)(CCCN)C(=O)c1ncc[nH]1
InChIInChI=1S/C11H20N4O2/c12-5-1-3-11(17,4-2-6-13)9(16)10-14-7-8-15-10/h7-8,17H,1-6,12-13H2,(H,14,15)
InChIKeyXCXGFYUPXNOZDD-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.20
Rot. Bonds8

About 5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one

5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one (PubChem CID 70018268) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one.

Molecular Properties

Compound Name5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one
PubChem CID70018268
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one
SMILESNCCCC(O)(CCCN)C(=O)c1ncc[nH]1
InChIInChI=1S/C11H20N4O2/c12-5-1-3-11(17,4-2-6-13)9(16)10-14-7-8-15-10/h7-8,17H,1-6,12-13H2,(H,14,15)
InChIKeyXCXGFYUPXNOZDD-UHFFFAOYSA-N
XLogP-0.20
TPSA118.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one?
The IUPAC name of 5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one (CID 70018268) is 5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one.
What is the SMILES notation for 5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one?
The canonical SMILES for 5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one is NCCCC(O)(CCCN)C(=O)c1ncc[nH]1.
What is the InChIKey of 5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one?
The InChIKey is XCXGFYUPXNOZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c12-5-1-3-11(17,4-2-6-13)9(16)10-14-7-8-15-10/h7-8,17H,1-6,12-13H2,(H,14,15).
What are the key properties of 5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one?
5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one has a molecular weight of 240.31 g/mol, XLogP of -0.20, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-aminopropyl)-2-hydroxy-1-(1H-imidazol-2-yl)pentan-1-one is sourced from PubChem (CID 70018268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).