8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride

About 8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride

8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride (PubChem CID 171322268) has the molecular formula C17H28Cl2N6O3 and a molecular weight of 435.36 g/mol. Its IUPAC name is 8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride.

Molecular Properties

Compound Name	8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride
PubChem CID	171322268
Molecular Formula	C17H28Cl2N6O3
Molecular Weight	435.36 g/mol
Exact Mass	434.16
IUPAC Name	8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride
SMILES	CC(C)CN1C(=O)NC(=O)C12CCN(C(=O)[C@@H](N)Cc1cnc[nH]1)CC2.Cl.Cl
InChI	InChI=1S/C17H26N6O3.2ClH/c1-11(2)9-23-16(26)21-15(25)17(23)3-5-22(6-4-17)14(24)13(18)7-12-8-19-10-20-12;;/h8,10-11,13H,3-7,9,18H2,1-2H3,(H,19,20)(H,21,25,26);2*1H/t13-;;/m0../s1
InChIKey	OBKOJXGRDLARMQ-GXKRWWSZSA-N
XLogP	0.69
TPSA	124.42 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.36
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride?

The IUPAC name of 8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride (CID 171322268) is 8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride.

What is the SMILES notation for 8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride?

The canonical SMILES for 8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride is CC(C)CN1C(=O)NC(=O)C12CCN(C(=O)[C@@H](N)Cc1cnc[nH]1)CC2.Cl.Cl.

What is the InChIKey of 8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride?

The InChIKey is OBKOJXGRDLARMQ-GXKRWWSZSA-N. The full InChI is InChI=1S/C17H26N6O3.2ClH/c1-11(2)9-23-16(26)21-15(25)17(23)3-5-22(6-4-17)14(24)13(18)7-12-8-19-10-20-12;;/h8,10-11,13H,3-7,9,18H2,1-2H3,(H,19,20)(H,21,25,26);2*1H/t13-;;/m0../s1.

What are the key properties of 8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride?

8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride has a molecular weight of 435.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;dihydrochloride is sourced from PubChem (CID 171322268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).