disodium;2-acetamidopentanedioate

C7H9NNa2O5 — CID 18539436

IUPACdisodium;2-acetamidopentanedioate
SMILESCC(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C7H11NO5.2Na/c1-4(9)8-5(7(12)13)2-3-6(10)11;;/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);;/q;2*+1/p-2
InChIKeyAFCZRJZLTGNMDX-UHFFFAOYSA-L
MW233.13 g/mol
LogP-9.22
Rot. Bonds5

About disodium;2-acetamidopentanedioate

disodium;2-acetamidopentanedioate (PubChem CID 18539436) has the molecular formula C7H9NNa2O5 and a molecular weight of 233.13 g/mol. Its IUPAC name is disodium;2-acetamidopentanedioate.

Molecular Properties

Compound Namedisodium;2-acetamidopentanedioate
PubChem CID18539436
Molecular FormulaC7H9NNa2O5
Molecular Weight233.13 g/mol
Exact Mass233.03
IUPAC Namedisodium;2-acetamidopentanedioate
SMILESCC(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C7H11NO5.2Na/c1-4(9)8-5(7(12)13)2-3-6(10)11;;/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);;/q;2*+1/p-2
InChIKeyAFCZRJZLTGNMDX-UHFFFAOYSA-L
XLogP-9.22
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 5-9.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

disodium;(2S)-2-(hydroxyamino)pentanedioate
CID 87933106
tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate
CID 162517555
(2R)-2-acetamidohexanoate
CID 6995105
zinc (2S)-2-(carbamoylamino)pentanedioate
CID 175394718
disodium;(2S)-2-(3-sulfanylpropanoylamino)pentanedioate
CID 86593470
disodium;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 102136496
magnesium bis((2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-hydroxy-5-oxopentanoate)
CID 87992520
sodium 2-acetamido-3-sulfanylpropanoate
CID 23678797
tetrakis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)
CID 154734792
zinc bis((2S)-2-acetamido-4-methylsulfanylbutanoate)
CID 24847734
bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)
CID 71587405
2,6-diacetamidohexanoate
CID 78438708

Frequently Asked Questions

What is the IUPAC name of disodium;2-acetamidopentanedioate?
The IUPAC name of disodium;2-acetamidopentanedioate (CID 18539436) is disodium;2-acetamidopentanedioate.
What is the SMILES notation for disodium;2-acetamidopentanedioate?
The canonical SMILES for disodium;2-acetamidopentanedioate is CC(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-acetamidopentanedioate?
The InChIKey is AFCZRJZLTGNMDX-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H11NO5.2Na/c1-4(9)8-5(7(12)13)2-3-6(10)11;;/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);;/q;2*+1/p-2.
What are the key properties of disodium;2-acetamidopentanedioate?
disodium;2-acetamidopentanedioate has a molecular weight of 233.13 g/mol, XLogP of -9.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-acetamidopentanedioate is sourced from PubChem (CID 18539436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).