sodium 2-(prop-2-enoylamino)undecanoate

C14H24NNaO3 — CID 23705985

IUPACsodium 2-(prop-2-enoylamino)undecanoate
SMILESC=CC(=O)NC(CCCCCCCCC)C(=O)[O-].[Na+]
InChIInChI=1S/C14H25NO3.Na/c1-3-5-6-7-8-9-10-11-12(14(17)18)15-13(16)4-2;/h4,12H,2-3,5-11H2,1H3,(H,15,16)(H,17,18);/q;+1/p-1
InChIKeyWHTZKGUWDWKVFX-UHFFFAOYSA-M
MW277.34 g/mol
LogP-1.45
Rot. Bonds11

About sodium 2-(prop-2-enoylamino)undecanoate

sodium 2-(prop-2-enoylamino)undecanoate (PubChem CID 23705985) has the molecular formula C14H24NNaO3 and a molecular weight of 277.34 g/mol. Its IUPAC name is sodium 2-(prop-2-enoylamino)undecanoate.

Molecular Properties

Compound Namesodium 2-(prop-2-enoylamino)undecanoate
PubChem CID23705985
Molecular FormulaC14H24NNaO3
Molecular Weight277.34 g/mol
Exact Mass277.17
IUPAC Namesodium 2-(prop-2-enoylamino)undecanoate
SMILESC=CC(=O)NC(CCCCCCCCC)C(=O)[O-].[Na+]
InChIInChI=1S/C14H25NO3.Na/c1-3-5-6-7-8-9-10-11-12(14(17)18)15-13(16)4-2;/h4,12H,2-3,5-11H2,1H3,(H,15,16)(H,17,18);/q;+1/p-1
InChIKeyWHTZKGUWDWKVFX-UHFFFAOYSA-M
XLogP-1.45
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(prop-2-enoylamino)undecanoate?
The IUPAC name of sodium 2-(prop-2-enoylamino)undecanoate (CID 23705985) is sodium 2-(prop-2-enoylamino)undecanoate.
What is the SMILES notation for sodium 2-(prop-2-enoylamino)undecanoate?
The canonical SMILES for sodium 2-(prop-2-enoylamino)undecanoate is C=CC(=O)NC(CCCCCCCCC)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(prop-2-enoylamino)undecanoate?
The InChIKey is WHTZKGUWDWKVFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H25NO3.Na/c1-3-5-6-7-8-9-10-11-12(14(17)18)15-13(16)4-2;/h4,12H,2-3,5-11H2,1H3,(H,15,16)(H,17,18);/q;+1/p-1.
What are the key properties of sodium 2-(prop-2-enoylamino)undecanoate?
sodium 2-(prop-2-enoylamino)undecanoate has a molecular weight of 277.34 g/mol, XLogP of -1.45, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(prop-2-enoylamino)undecanoate is sourced from PubChem (CID 23705985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).