sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid

C10H22NaO6P — CID 162229036

IUPACsodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid
SMILESC.C.CCC(C(=O)O)[P+](=O)[O-].[CH2-]C(C)C(=O)O.[Na+]
InChIInChI=1S/C4H7O4P.C4H7O2.2CH4.Na/c1-2-3(4(5)6)9(7)8;1-3(2)4(5)6;;;/h3H,2H2,1H3,(H,5,6);3H,1H2,2H3,(H,5,6);2*1H4;/q;-1;;;+1
InChIKeyOBSQYENXGLRVQZ-UHFFFAOYSA-N
MW292.24 g/mol
LogP-1.23
Rot. Bonds4

About sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid

sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid (PubChem CID 162229036) has the molecular formula C10H22NaO6P and a molecular weight of 292.24 g/mol. Its IUPAC name is sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid.

Molecular Properties

Compound Namesodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid
PubChem CID162229036
Molecular FormulaC10H22NaO6P
Molecular Weight292.24 g/mol
Exact Mass292.11
IUPAC Namesodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid
SMILESC.C.CCC(C(=O)O)[P+](=O)[O-].[CH2-]C(C)C(=O)O.[Na+]
InChIInChI=1S/C4H7O4P.C4H7O2.2CH4.Na/c1-2-3(4(5)6)9(7)8;1-3(2)4(5)6;;;/h3H,2H2,1H3,(H,5,6);3H,1H2,2H3,(H,5,6);2*1H4;/q;-1;;;+1
InChIKeyOBSQYENXGLRVQZ-UHFFFAOYSA-N
XLogP-1.23
TPSA114.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-methanidylpropanoic acid
CID 21356888
methane;(2S)-2-methylbutanoic acid
CID 159302978
sodium 1-hydroxyethyl-oxido-oxophosphanium
CID 23706939
(1-carboxy-1-hydroxypropan-2-yl)-oxido-oxophosphanium
CID 171439253
acetic acid;2-methanidyl-4-trimethylsilylbutanoic acid;tungsten(2+)
CID 20587644
sodium 1-fluoropropyl-oxido-oxophosphanium
CID 175084591
(2S,4S)-2,4-bis[(2S)-butan-2-yl]pentanedioic acid
CID 15070778
(2R,3S)-3-methyl-2-sulfanylpentanoic acid
CID 55302342
2-sulfanylbutanoic acid
CID 159730662
ethane;2-methylbutanoic acid
CID 87621166
potassium;sodium;2-ethylpropanedioic acid;hydride
CID 174967911
iron;2-methylbutanoic acid
CID 175205801

Frequently Asked Questions

What is the IUPAC name of sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid?
The IUPAC name of sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid (CID 162229036) is sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid.
What is the SMILES notation for sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid?
The canonical SMILES for sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid is C.C.CCC(C(=O)O)[P+](=O)[O-].[CH2-]C(C)C(=O)O.[Na+].
What is the InChIKey of sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid?
The InChIKey is OBSQYENXGLRVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O4P.C4H7O2.2CH4.Na/c1-2-3(4(5)6)9(7)8;1-3(2)4(5)6;;;/h3H,2H2,1H3,(H,5,6);3H,1H2,2H3,(H,5,6);2*1H4;/q;-1;;;+1.
What are the key properties of sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid?
sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid has a molecular weight of 292.24 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[(1S)-1-carboxypropyl]-oxido-oxophosphanium;methane;2-methanidylpropanoic acid is sourced from PubChem (CID 162229036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).