sodium N-(carboxymethyl)octanimidate

C10H18NNaO3 — CID 101207693

IUPACsodium N-(carboxymethyl)octanimidate
SMILESCCCCCCC/C([O-])=N/CC(=O)O.[Na+]
InChIInChI=1S/C10H19NO3.Na/c1-2-3-4-5-6-7-9(12)11-8-10(13)14;/h2-8H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1
InChIKeySUKWDMYPQWAEBD-UHFFFAOYSA-M
MW223.25 g/mol
LogP-1.81
Rot. Bonds8

About sodium N-(carboxymethyl)octanimidate

sodium N-(carboxymethyl)octanimidate (PubChem CID 101207693) has the molecular formula C10H18NNaO3 and a molecular weight of 223.25 g/mol. Its IUPAC name is sodium N-(carboxymethyl)octanimidate.

Molecular Properties

Compound Namesodium N-(carboxymethyl)octanimidate
PubChem CID101207693
Molecular FormulaC10H18NNaO3
Molecular Weight223.25 g/mol
Exact Mass223.12
IUPAC Namesodium N-(carboxymethyl)octanimidate
SMILESCCCCCCC/C([O-])=N/CC(=O)O.[Na+]
InChIInChI=1S/C10H19NO3.Na/c1-2-3-4-5-6-7-9(12)11-8-10(13)14;/h2-8H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1
InChIKeySUKWDMYPQWAEBD-UHFFFAOYSA-M
XLogP-1.81
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-1.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium N-(carboxymethyl)octanimidate?
The IUPAC name of sodium N-(carboxymethyl)octanimidate (CID 101207693) is sodium N-(carboxymethyl)octanimidate.
What is the SMILES notation for sodium N-(carboxymethyl)octanimidate?
The canonical SMILES for sodium N-(carboxymethyl)octanimidate is CCCCCCC/C([O-])=N/CC(=O)O.[Na+].
What is the InChIKey of sodium N-(carboxymethyl)octanimidate?
The InChIKey is SUKWDMYPQWAEBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19NO3.Na/c1-2-3-4-5-6-7-9(12)11-8-10(13)14;/h2-8H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1.
What are the key properties of sodium N-(carboxymethyl)octanimidate?
sodium N-(carboxymethyl)octanimidate has a molecular weight of 223.25 g/mol, XLogP of -1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(carboxymethyl)octanimidate is sourced from PubChem (CID 101207693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).