4-acetamido-5-oxopentanamide;zinc

C7H11N2O3Zn- — CID 174347159

IUPAC4-acetamido-5-oxopentanamide;zinc
SMILESCC(=O)NC([C-]=O)CCC(N)=O.[Zn]
InChIInChI=1S/C7H11N2O3.Zn/c1-5(11)9-6(4-10)2-3-7(8)12;/h6H,2-3H2,1H3,(H2,8,12)(H,9,11);/q-1;
InChIKeyJSNAOHMJNMQVDM-UHFFFAOYSA-N
MW236.57 g/mol
LogP-1.14
Rot. Bonds5

About 4-acetamido-5-oxopentanamide;zinc

4-acetamido-5-oxopentanamide;zinc (PubChem CID 174347159) has the molecular formula C7H11N2O3Zn- and a molecular weight of 236.57 g/mol. Its IUPAC name is 4-acetamido-5-oxopentanamide;zinc.

Molecular Properties

Compound Name4-acetamido-5-oxopentanamide;zinc
PubChem CID174347159
Molecular FormulaC7H11N2O3Zn-
Molecular Weight236.57 g/mol
Exact Mass235.01
IUPAC Name4-acetamido-5-oxopentanamide;zinc
SMILESCC(=O)NC([C-]=O)CCC(N)=O.[Zn]
InChIInChI=1S/C7H11N2O3.Zn/c1-5(11)9-6(4-10)2-3-7(8)12;/h6H,2-3H2,1H3,(H2,8,12)(H,9,11);/q-1;
InChIKeyJSNAOHMJNMQVDM-UHFFFAOYSA-N
XLogP-1.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.57
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbanide;N-(1-oxobutan-2-yl)acetamide;uranium(2+)
CID 163600197
4-acetamido-5-hydroxypentanamide
CID 123414269
2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid
CID 23191188
CID 102601830
CID 102601830
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276
propan-2-yl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 87112681
2-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123280236
(2S)-2-acetamido-5-amino-5-oxopentanoic acid;(2R)-2-acetamido-3-sulfanylpropanoic acid
CID 87864683
2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
(5S)-5-acetamido-4-oxohexanamide;ethane
CID 144964683
2-[(2-acetamido-3-carboxypropanoyl)amino]-5-amino-5-oxopentanoic acid
CID 73073678

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-oxopentanamide;zinc?
The IUPAC name of 4-acetamido-5-oxopentanamide;zinc (CID 174347159) is 4-acetamido-5-oxopentanamide;zinc.
What is the SMILES notation for 4-acetamido-5-oxopentanamide;zinc?
The canonical SMILES for 4-acetamido-5-oxopentanamide;zinc is CC(=O)NC([C-]=O)CCC(N)=O.[Zn].
What is the InChIKey of 4-acetamido-5-oxopentanamide;zinc?
The InChIKey is JSNAOHMJNMQVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O3.Zn/c1-5(11)9-6(4-10)2-3-7(8)12;/h6H,2-3H2,1H3,(H2,8,12)(H,9,11);/q-1;.
What are the key properties of 4-acetamido-5-oxopentanamide;zinc?
4-acetamido-5-oxopentanamide;zinc has a molecular weight of 236.57 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-oxopentanamide;zinc is sourced from PubChem (CID 174347159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).