sodium 2-(2-oxopropylideneamino)acetic acid

C5H7NNaO3+ — CID 54601878

IUPACsodium 2-(2-oxopropylideneamino)acetic acid
SMILESCC(=O)/C=N/CC(=O)O.[Na+]
InChIInChI=1S/C5H7NO3.Na/c1-4(7)2-6-3-5(8)9;/h2H,3H2,1H3,(H,8,9);/q;+1/b6-2+;
InChIKeyFDELLQNMZWSJSF-LKZNWTOYSA-N
MW152.10 g/mol
LogP-3.27
Rot. Bonds3

About sodium 2-(2-oxopropylideneamino)acetic acid

sodium 2-(2-oxopropylideneamino)acetic acid (PubChem CID 54601878) has the molecular formula C5H7NNaO3+ and a molecular weight of 152.10 g/mol. Its IUPAC name is sodium 2-(2-oxopropylideneamino)acetic acid.

Molecular Properties

Compound Namesodium 2-(2-oxopropylideneamino)acetic acid
PubChem CID54601878
Molecular FormulaC5H7NNaO3+
Molecular Weight152.10 g/mol
Exact Mass152.03
IUPAC Namesodium 2-(2-oxopropylideneamino)acetic acid
SMILESCC(=O)/C=N/CC(=O)O.[Na+]
InChIInChI=1S/C5H7NO3.Na/c1-4(7)2-6-3-5(8)9;/h2H,3H2,1H3,(H,8,9);/q;+1/b6-2+;
InChIKeyFDELLQNMZWSJSF-LKZNWTOYSA-N
XLogP-3.27
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.10
LogP ≤ 5-3.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-oxopropylideneamino)acetic acid?
The IUPAC name of sodium 2-(2-oxopropylideneamino)acetic acid (CID 54601878) is sodium 2-(2-oxopropylideneamino)acetic acid.
What is the SMILES notation for sodium 2-(2-oxopropylideneamino)acetic acid?
The canonical SMILES for sodium 2-(2-oxopropylideneamino)acetic acid is CC(=O)/C=N/CC(=O)O.[Na+].
What is the InChIKey of sodium 2-(2-oxopropylideneamino)acetic acid?
The InChIKey is FDELLQNMZWSJSF-LKZNWTOYSA-N. The full InChI is InChI=1S/C5H7NO3.Na/c1-4(7)2-6-3-5(8)9;/h2H,3H2,1H3,(H,8,9);/q;+1/b6-2+;.
What are the key properties of sodium 2-(2-oxopropylideneamino)acetic acid?
sodium 2-(2-oxopropylideneamino)acetic acid has a molecular weight of 152.10 g/mol, XLogP of -3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-oxopropylideneamino)acetic acid is sourced from PubChem (CID 54601878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).