sodium 2-(hydroxyamino)propanoate

C3H6NNaO3 — CID 23713376

IUPACsodium 2-(hydroxyamino)propanoate
SMILESCC(NO)C(=O)[O-].[Na+]
InChIInChI=1S/C3H7NO3.Na/c1-2(4-7)3(5)6;/h2,4,7H,1H3,(H,5,6);/q;+1/p-1
InChIKeyCQIQHUFOCPMETA-UHFFFAOYSA-M
MW127.07 g/mol
LogP-4.89
Rot. Bonds2

About sodium 2-(hydroxyamino)propanoate

sodium 2-(hydroxyamino)propanoate (PubChem CID 23713376) has the molecular formula C3H6NNaO3 and a molecular weight of 127.07 g/mol. Its IUPAC name is sodium 2-(hydroxyamino)propanoate.

Molecular Properties

Compound Namesodium 2-(hydroxyamino)propanoate
PubChem CID23713376
Molecular FormulaC3H6NNaO3
Molecular Weight127.07 g/mol
Exact Mass127.02
IUPAC Namesodium 2-(hydroxyamino)propanoate
SMILESCC(NO)C(=O)[O-].[Na+]
InChIInChI=1S/C3H7NO3.Na/c1-2(4-7)3(5)6;/h2,4,7H,1H3,(H,5,6);/q;+1/p-1
InChIKeyCQIQHUFOCPMETA-UHFFFAOYSA-M
XLogP-4.89
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.07
LogP ≤ 5-4.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-acetamidopropanoate
CID 6926438
(2S)-2-acetamidopropanoate;copper(1+)
CID 175469092
sodium (2S)-2-(2,2-dihydroxyethylamino)propanoate
CID 141052836
sodium 2-methyl-3-oxobutanoate
CID 23705742
2-(hydroxyamino)propanamide
CID 12611671
(2S)-2-(methanesulfonamido)propanoate
CID 7446977
sodium;pentakis(2-hydroxypropanoate);thorium(4+)
CID 159864305
nonasodium;nonaacetate
CID 173443222
disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate
CID 53483146
disilver;2-methylpropanedioate
CID 121393244
calcium bis(2-methylpropanoate)
CID 102602609
tris(2-methylpropanoate);thallium(3+)
CID 173444614

Frequently Asked Questions

What is the IUPAC name of sodium 2-(hydroxyamino)propanoate?
The IUPAC name of sodium 2-(hydroxyamino)propanoate (CID 23713376) is sodium 2-(hydroxyamino)propanoate.
What is the SMILES notation for sodium 2-(hydroxyamino)propanoate?
The canonical SMILES for sodium 2-(hydroxyamino)propanoate is CC(NO)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(hydroxyamino)propanoate?
The InChIKey is CQIQHUFOCPMETA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO3.Na/c1-2(4-7)3(5)6;/h2,4,7H,1H3,(H,5,6);/q;+1/p-1.
What are the key properties of sodium 2-(hydroxyamino)propanoate?
sodium 2-(hydroxyamino)propanoate has a molecular weight of 127.07 g/mol, XLogP of -4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(hydroxyamino)propanoate is sourced from PubChem (CID 23713376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).