2-(butanoylamino)butanedioic acid;zinc

C8H13NO5Zn — CID 174973870

IUPAC2-(butanoylamino)butanedioic acid;zinc
SMILESCCCC(=O)NC(CC(=O)O)C(=O)O.[Zn]
InChIInChI=1S/C8H13NO5.Zn/c1-2-3-6(10)9-5(8(13)14)4-7(11)12;/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14);
InChIKeyRDJXHWZWIXSJCF-UHFFFAOYSA-N
MW268.58 g/mol
LogP-0.17
Rot. Bonds6

About 2-(butanoylamino)butanedioic acid;zinc

2-(butanoylamino)butanedioic acid;zinc (PubChem CID 174973870) has the molecular formula C8H13NO5Zn and a molecular weight of 268.58 g/mol. Its IUPAC name is 2-(butanoylamino)butanedioic acid;zinc.

Molecular Properties

Compound Name2-(butanoylamino)butanedioic acid;zinc
PubChem CID174973870
Molecular FormulaC8H13NO5Zn
Molecular Weight268.58 g/mol
Exact Mass267.01
IUPAC Name2-(butanoylamino)butanedioic acid;zinc
SMILESCCCC(=O)NC(CC(=O)O)C(=O)O.[Zn]
InChIInChI=1S/C8H13NO5.Zn/c1-2-3-6(10)9-5(8(13)14)4-7(11)12;/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14);
InChIKeyRDJXHWZWIXSJCF-UHFFFAOYSA-N
XLogP-0.17
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.58
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-(butanoylamino)butanedioic acid;hydride
CID 174974631
(2R)-2-(hexadecanoylamino)butanedioic acid
CID 14585950
disodium;(2S)-2-(hexanoylamino)butanedioic acid;hydride
CID 174918684
2-(butanoylamino)-5-fluoro-4-oxopentanoic acid
CID 141198037
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
potassium;hydride;2-(tetradecanoylamino)butanedioic acid
CID 175453509
potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride
CID 174413671
(2S)-2-(4-carboxybutanoylamino)butanedioic acid
CID 87693716
(2S)-2-(butanoylamino)-4-methylselanylbutanoic acid
CID 89313972
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
(2S)-2-(butanoylamino)-5-oxopentanoic acid
CID 174872507
2-(butanoylamino)-5-oxopentanoic acid
CID 123955857

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)butanedioic acid;zinc?
The IUPAC name of 2-(butanoylamino)butanedioic acid;zinc (CID 174973870) is 2-(butanoylamino)butanedioic acid;zinc.
What is the SMILES notation for 2-(butanoylamino)butanedioic acid;zinc?
The canonical SMILES for 2-(butanoylamino)butanedioic acid;zinc is CCCC(=O)NC(CC(=O)O)C(=O)O.[Zn].
What is the InChIKey of 2-(butanoylamino)butanedioic acid;zinc?
The InChIKey is RDJXHWZWIXSJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5.Zn/c1-2-3-6(10)9-5(8(13)14)4-7(11)12;/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14);.
What are the key properties of 2-(butanoylamino)butanedioic acid;zinc?
2-(butanoylamino)butanedioic acid;zinc has a molecular weight of 268.58 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)butanedioic acid;zinc is sourced from PubChem (CID 174973870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).