sodium N-[(1S)-1-carboxyethyl]undecanimidate

C14H26NNaO3 — CID 101117034

IUPACsodium N-[(1S)-1-carboxyethyl]undecanimidate
SMILESCCCCCCCCCC/C([O-])=N/[C@@H](C)C(=O)O.[Na+]
InChIInChI=1S/C14H27NO3.Na/c1-3-4-5-6-7-8-9-10-11-13(16)15-12(2)14(17)18;/h12H,3-11H2,1-2H3,(H,15,16)(H,17,18);/q;+1/p-1/t12-;/m0./s1
InChIKeyZBHZCOWPGLWMSA-YDALLXLXSA-M
MW279.36 g/mol
LogP-0.25
Rot. Bonds11

About sodium N-[(1S)-1-carboxyethyl]undecanimidate

sodium N-[(1S)-1-carboxyethyl]undecanimidate (PubChem CID 101117034) has the molecular formula C14H26NNaO3 and a molecular weight of 279.36 g/mol. Its IUPAC name is sodium N-[(1S)-1-carboxyethyl]undecanimidate.

Molecular Properties

Compound Namesodium N-[(1S)-1-carboxyethyl]undecanimidate
PubChem CID101117034
Molecular FormulaC14H26NNaO3
Molecular Weight279.36 g/mol
Exact Mass279.18
IUPAC Namesodium N-[(1S)-1-carboxyethyl]undecanimidate
SMILESCCCCCCCCCC/C([O-])=N/[C@@H](C)C(=O)O.[Na+]
InChIInChI=1S/C14H27NO3.Na/c1-3-4-5-6-7-8-9-10-11-13(16)15-12(2)14(17)18;/h12H,3-11H2,1-2H3,(H,15,16)(H,17,18);/q;+1/p-1/t12-;/m0./s1
InChIKeyZBHZCOWPGLWMSA-YDALLXLXSA-M
XLogP-0.25
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.25
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'}

Analyze sodium N-[(1S)-1-carboxyethyl]undecanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium N-[(1S)-1-carboxyethyl]undecanimidate?
The IUPAC name of sodium N-[(1S)-1-carboxyethyl]undecanimidate (CID 101117034) is sodium N-[(1S)-1-carboxyethyl]undecanimidate.
What is the SMILES notation for sodium N-[(1S)-1-carboxyethyl]undecanimidate?
The canonical SMILES for sodium N-[(1S)-1-carboxyethyl]undecanimidate is CCCCCCCCCC/C([O-])=N/[C@@H](C)C(=O)O.[Na+].
What is the InChIKey of sodium N-[(1S)-1-carboxyethyl]undecanimidate?
The InChIKey is ZBHZCOWPGLWMSA-YDALLXLXSA-M. The full InChI is InChI=1S/C14H27NO3.Na/c1-3-4-5-6-7-8-9-10-11-13(16)15-12(2)14(17)18;/h12H,3-11H2,1-2H3,(H,15,16)(H,17,18);/q;+1/p-1/t12-;/m0./s1.
What are the key properties of sodium N-[(1S)-1-carboxyethyl]undecanimidate?
sodium N-[(1S)-1-carboxyethyl]undecanimidate has a molecular weight of 279.36 g/mol, XLogP of -0.25, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-[(1S)-1-carboxyethyl]undecanimidate is sourced from PubChem (CID 101117034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).