sodium 2-methanidylpropanoic acid

C4H7NaO2 — CID 21356888

IUPACsodium 2-methanidylpropanoic acid
SMILES[CH2-]C(C)C(=O)O.[Na+]
InChIInChI=1S/C4H7O2.Na/c1-3(2)4(5)6;/h3H,1H2,2H3,(H,5,6);/q-1;+1
InChIKeyLJWHOINUFHBLRO-UHFFFAOYSA-N
MW110.09 g/mol
LogP-2.45
Rot. Bonds1

About sodium 2-methanidylpropanoic acid

sodium 2-methanidylpropanoic acid (PubChem CID 21356888) has the molecular formula C4H7NaO2 and a molecular weight of 110.09 g/mol. Its IUPAC name is sodium 2-methanidylpropanoic acid.

Molecular Properties

Compound Namesodium 2-methanidylpropanoic acid
PubChem CID21356888
Molecular FormulaC4H7NaO2
Molecular Weight110.09 g/mol
Exact Mass110.03
IUPAC Namesodium 2-methanidylpropanoic acid
SMILES[CH2-]C(C)C(=O)O.[Na+]
InChIInChI=1S/C4H7O2.Na/c1-3(2)4(5)6;/h3H,1H2,2H3,(H,5,6);/q-1;+1
InChIKeyLJWHOINUFHBLRO-UHFFFAOYSA-N
XLogP-2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.09
LogP ≤ 5-2.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropanoic acid
CID 173073412
sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid
CID 162229036
tridecasodium;hydride;pentakis(2-hydroxypropanoic acid)
CID 173456242
azane;2-methylpropanoic acid;hydrate
CID 161320294
2-hydroxypropanoic acid
CID 87075455
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
magnesium;sodium;hydride;2-hydroxypropanoic acid
CID 175010169
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458

Frequently Asked Questions

What is the IUPAC name of sodium 2-methanidylpropanoic acid?
The IUPAC name of sodium 2-methanidylpropanoic acid (CID 21356888) is sodium 2-methanidylpropanoic acid.
What is the SMILES notation for sodium 2-methanidylpropanoic acid?
The canonical SMILES for sodium 2-methanidylpropanoic acid is [CH2-]C(C)C(=O)O.[Na+].
What is the InChIKey of sodium 2-methanidylpropanoic acid?
The InChIKey is LJWHOINUFHBLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2.Na/c1-3(2)4(5)6;/h3H,1H2,2H3,(H,5,6);/q-1;+1.
What are the key properties of sodium 2-methanidylpropanoic acid?
sodium 2-methanidylpropanoic acid has a molecular weight of 110.09 g/mol, XLogP of -2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methanidylpropanoic acid is sourced from PubChem (CID 21356888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).