Polaprezinc

C9H12N4O3Zn — CID 9817450

IUPACzinc (2S)-2-(3-aminopropanoylamino)-3-imidazol-1-id-4-ylpropanoate
SMILESC1=C(N=C[N-]1)C[C@@H](C(=O)[O-])NC(=O)CCN.[Zn+2]
InChIInChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H3,11,12,13,14,15,16);/q;+2/p-2/t7-;/m0./s1
InChIKeyIGXZLYMCFZHNKW-FJXQXJEOSA-L
MW289.60 g/mol
LogP—
Rot. Bonds5

About Polaprezinc

Polaprezinc (PubChem CID 9817450) has the molecular formula C9H12N4O3Zn and a molecular weight of 289.60 g/mol. Its IUPAC name is zinc (2S)-2-(3-aminopropanoylamino)-3-imidazol-1-id-4-ylpropanoate.

Molecular Properties

Compound NamePolaprezinc
PubChem CID9817450
Molecular FormulaC9H12N4O3Zn
Molecular Weight289.60 g/mol
Exact Mass288.02
IUPAC Namezinc (2S)-2-(3-aminopropanoylamino)-3-imidazol-1-id-4-ylpropanoate
SMILESC1=C(N=C[N-]1)C[C@@H](C(=O)[O-])NC(=O)CCN.[Zn+2]
InChIInChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H3,11,12,13,14,15,16);/q;+2/p-2/t7-;/m0./s1
InChIKeyIGXZLYMCFZHNKW-FJXQXJEOSA-L
XLogP—
TPSA109.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity254

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

L-Histidine
CID 6274
Carnosine
CID 439224
3-Methyl-L-Histidine
CID 64969
1-Methyl-L-histidine
CID 92105
Anserine
CID 112072
(2S)-2-ammonio-3-(1H-imidazol-4-yl)propanoate
CID 6971009
D-Histidine
CID 71083
Histidine Monohydrochloride
CID 66091
DL-histidine
CID 773
N-Acetyl-L-histidine
CID 75619
L-histidyl-L-leucine
CID 189008
glycyl-L-histidyl-L-lysine
CID 73587

Frequently Asked Questions

What is the IUPAC name of Polaprezinc?
The IUPAC name of Polaprezinc (CID 9817450) is zinc (2S)-2-(3-aminopropanoylamino)-3-imidazol-1-id-4-ylpropanoate.
What is the SMILES notation for Polaprezinc?
The canonical SMILES for Polaprezinc is C1=C(N=C[N-]1)C[C@@H](C(=O)[O-])NC(=O)CCN.[Zn+2].
What is the InChIKey of Polaprezinc?
The InChIKey is IGXZLYMCFZHNKW-FJXQXJEOSA-L. The full InChI is InChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H3,11,12,13,14,15,16);/q;+2/p-2/t7-;/m0./s1.
What are the key properties of Polaprezinc?
Polaprezinc has a molecular weight of 289.60 g/mol, XLogP of not available, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Polaprezinc is sourced from PubChem (CID 9817450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).