sodium 3-(dec-1-enylamino)propanoate

C13H24NNaO2 — CID 168911697

IUPACsodium 3-(dec-1-enylamino)propanoate
SMILESCCCCCCCCC=CNCCC(=O)[O-].[Na+]
InChIInChI=1S/C13H25NO2.Na/c1-2-3-4-5-6-7-8-9-11-14-12-10-13(15)16;/h9,11,14H,2-8,10,12H2,1H3,(H,15,16);/q;+1/p-1
InChIKeyZYAQENXYCZFMQV-UHFFFAOYSA-M
MW249.33 g/mol
LogP-1.02
Rot. Bonds11

About sodium 3-(dec-1-enylamino)propanoate

sodium 3-(dec-1-enylamino)propanoate (PubChem CID 168911697) has the molecular formula C13H24NNaO2 and a molecular weight of 249.33 g/mol. Its IUPAC name is sodium 3-(dec-1-enylamino)propanoate.

Molecular Properties

Compound Namesodium 3-(dec-1-enylamino)propanoate
PubChem CID168911697
Molecular FormulaC13H24NNaO2
Molecular Weight249.33 g/mol
Exact Mass249.17
IUPAC Namesodium 3-(dec-1-enylamino)propanoate
SMILESCCCCCCCCC=CNCCC(=O)[O-].[Na+]
InChIInChI=1S/C13H25NO2.Na/c1-2-3-4-5-6-7-8-9-11-14-12-10-13(15)16;/h9,11,14H,2-8,10,12H2,1H3,(H,15,16);/q;+1/p-1
InChIKeyZYAQENXYCZFMQV-UHFFFAOYSA-M
XLogP-1.02
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(oct-1-enylamino)propanoate
CID 168911743
methyl 3-(hept-1-enylamino)propanoate
CID 168911722
sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate
CID 173324168
sodium 3-(oct-2-enylamino)propanoate
CID 174049613
(E)-tetradec-5-enoate
CID 22378170
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
(E)-triacont-15-enoate
CID 59800253
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
potassium (10E,12E)-octadeca-10,12-dienoate
CID 101366415
sodium 3-[[(E)-pentadec-1-enyl]sulfonylamino]propanoate
CID 101284854
sodium 3-[[(E)-heptadec-1-enyl]sulfonylamino]propanoate
CID 101284858
mercury(2+);bis(octadec-9-enoate)
CID 14495

Frequently Asked Questions

What is the IUPAC name of sodium 3-(dec-1-enylamino)propanoate?
The IUPAC name of sodium 3-(dec-1-enylamino)propanoate (CID 168911697) is sodium 3-(dec-1-enylamino)propanoate.
What is the SMILES notation for sodium 3-(dec-1-enylamino)propanoate?
The canonical SMILES for sodium 3-(dec-1-enylamino)propanoate is CCCCCCCCC=CNCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 3-(dec-1-enylamino)propanoate?
The InChIKey is ZYAQENXYCZFMQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H25NO2.Na/c1-2-3-4-5-6-7-8-9-11-14-12-10-13(15)16;/h9,11,14H,2-8,10,12H2,1H3,(H,15,16);/q;+1/p-1.
What are the key properties of sodium 3-(dec-1-enylamino)propanoate?
sodium 3-(dec-1-enylamino)propanoate has a molecular weight of 249.33 g/mol, XLogP of -1.02, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(dec-1-enylamino)propanoate is sourced from PubChem (CID 168911697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).