sodium (2S)-2-[formyl(hydroxy)amino]propanoate

C4H6NNaO4 — CID 23690935

IUPACsodium (2S)-2-[formyl(hydroxy)amino]propanoate
SMILESC[C@@H](C(=O)[O-])N(O)C=O.[Na+]
InChIInChI=1S/C4H7NO4.Na/c1-3(4(7)8)5(9)2-6;/h2-3,9H,1H3,(H,7,8);/q;+1/p-1/t3-;/m0./s1
InChIKeySRCCECZAEZWOJX-DFWYDOINSA-M
MW155.08 g/mol
LogP-5.02
Rot. Bonds3

About sodium (2S)-2-[formyl(hydroxy)amino]propanoate

sodium (2S)-2-[formyl(hydroxy)amino]propanoate (PubChem CID 23690935) has the molecular formula C4H6NNaO4 and a molecular weight of 155.08 g/mol. Its IUPAC name is sodium (2S)-2-[formyl(hydroxy)amino]propanoate.

Molecular Properties

Compound Namesodium (2S)-2-[formyl(hydroxy)amino]propanoate
PubChem CID23690935
Molecular FormulaC4H6NNaO4
Molecular Weight155.08 g/mol
Exact Mass155.02
IUPAC Namesodium (2S)-2-[formyl(hydroxy)amino]propanoate
SMILESC[C@@H](C(=O)[O-])N(O)C=O.[Na+]
InChIInChI=1S/C4H7NO4.Na/c1-3(4(7)8)5(9)2-6;/h2-3,9H,1H3,(H,7,8);/q;+1/p-1/t3-;/m0./s1
InChIKeySRCCECZAEZWOJX-DFWYDOINSA-M
XLogP-5.02
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.08
LogP ≤ 5-5.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium (2S)-2-[formyl(hydroxy)amino]propanoate?
The IUPAC name of sodium (2S)-2-[formyl(hydroxy)amino]propanoate (CID 23690935) is sodium (2S)-2-[formyl(hydroxy)amino]propanoate.
What is the SMILES notation for sodium (2S)-2-[formyl(hydroxy)amino]propanoate?
The canonical SMILES for sodium (2S)-2-[formyl(hydroxy)amino]propanoate is C[C@@H](C(=O)[O-])N(O)C=O.[Na+].
What is the InChIKey of sodium (2S)-2-[formyl(hydroxy)amino]propanoate?
The InChIKey is SRCCECZAEZWOJX-DFWYDOINSA-M. The full InChI is InChI=1S/C4H7NO4.Na/c1-3(4(7)8)5(9)2-6;/h2-3,9H,1H3,(H,7,8);/q;+1/p-1/t3-;/m0./s1.
What are the key properties of sodium (2S)-2-[formyl(hydroxy)amino]propanoate?
sodium (2S)-2-[formyl(hydroxy)amino]propanoate has a molecular weight of 155.08 g/mol, XLogP of -5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-2-[formyl(hydroxy)amino]propanoate is sourced from PubChem (CID 23690935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).