disodium;(2S)-2-(hydroxyamino)pentanedioate

C5H7NNa2O5 — CID 87933106

IUPACdisodium;(2S)-2-(hydroxyamino)pentanedioate
SMILESO=C([O-])CC[C@H](NO)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H9NO5.2Na/c7-4(8)2-1-3(6-11)5(9)10;;/h3,6,11H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m0../s1
InChIKeyMHQHYBOQYRWZGA-QTNFYWBSSA-L
MW207.09 g/mol
LogP-9.38
Rot. Bonds5

About disodium;(2S)-2-(hydroxyamino)pentanedioate

disodium;(2S)-2-(hydroxyamino)pentanedioate (PubChem CID 87933106) has the molecular formula C5H7NNa2O5 and a molecular weight of 207.09 g/mol. Its IUPAC name is disodium;(2S)-2-(hydroxyamino)pentanedioate.

Molecular Properties

Compound Namedisodium;(2S)-2-(hydroxyamino)pentanedioate
PubChem CID87933106
Molecular FormulaC5H7NNa2O5
Molecular Weight207.09 g/mol
Exact Mass207.01
IUPAC Namedisodium;(2S)-2-(hydroxyamino)pentanedioate
SMILESO=C([O-])CC[C@H](NO)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H9NO5.2Na/c7-4(8)2-1-3(6-11)5(9)10;;/h3,6,11H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m0../s1
InChIKeyMHQHYBOQYRWZGA-QTNFYWBSSA-L
XLogP-9.38
TPSA112.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.09
LogP ≤ 5-9.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

disodium;2-acetamidopentanedioate
CID 18539436
tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate
CID 162517555
tetrasodium;4-[(3-carboxylato-1-oxidopropyl)amino]-4-oxidobutanoate
CID 14009399
disodium;(2S)-2-(3-sulfanylpropanoylamino)pentanedioate
CID 86593470
zinc (2S)-2-(carbamoylamino)pentanedioate
CID 175394718
diazanium;(2S)-2-(dicarboxymethylamino)pentanedioate
CID 87560114
disodium;(2S)-2-(decylamino)pentanedioate
CID 141406009
disodium;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 102136496
disodium;(2S)-2-hydroxypentanedioate
CID 56845267
magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)
CID 141025880
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
(4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate
CID 102516015

Frequently Asked Questions

What is the IUPAC name of disodium;(2S)-2-(hydroxyamino)pentanedioate?
The IUPAC name of disodium;(2S)-2-(hydroxyamino)pentanedioate (CID 87933106) is disodium;(2S)-2-(hydroxyamino)pentanedioate.
What is the SMILES notation for disodium;(2S)-2-(hydroxyamino)pentanedioate?
The canonical SMILES for disodium;(2S)-2-(hydroxyamino)pentanedioate is O=C([O-])CC[C@H](NO)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;(2S)-2-(hydroxyamino)pentanedioate?
The InChIKey is MHQHYBOQYRWZGA-QTNFYWBSSA-L. The full InChI is InChI=1S/C5H9NO5.2Na/c7-4(8)2-1-3(6-11)5(9)10;;/h3,6,11H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m0../s1.
What are the key properties of disodium;(2S)-2-(hydroxyamino)pentanedioate?
disodium;(2S)-2-(hydroxyamino)pentanedioate has a molecular weight of 207.09 g/mol, XLogP of -9.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2S)-2-(hydroxyamino)pentanedioate is sourced from PubChem (CID 87933106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).