sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid

C16H32NNaO4 — CID 175594517

IUPACsodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid
SMILESC=CCCCCCCCC.CCC(=O)O.[H-].[H]/N=C(\C)C(=O)O.[Na+]
InChIInChI=1S/C10H20.C3H5NO2.C3H6O2.Na.H/c1-3-5-7-9-10-8-6-4-2;1-2(4)3(5)6;1-2-3(4)5;;/h3H,1,4-10H2,2H3;4H,1H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;;+1;-1/b;4-2+;;;
InChIKeyDAOYLNPJHSIMRA-IIDAYTPUSA-N
MW325.43 g/mol
LogP1.63
Rot. Bonds9

About sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid

sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid (PubChem CID 175594517) has the molecular formula C16H32NNaO4 and a molecular weight of 325.43 g/mol. Its IUPAC name is sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid.

Molecular Properties

Compound Namesodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid
PubChem CID175594517
Molecular FormulaC16H32NNaO4
Molecular Weight325.43 g/mol
Exact Mass325.22
IUPAC Namesodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid
SMILESC=CCCCCCCCC.CCC(=O)O.[H-].[H]/N=C(\C)C(=O)O.[Na+]
InChIInChI=1S/C10H20.C3H5NO2.C3H6O2.Na.H/c1-3-5-7-9-10-8-6-4-2;1-2(4)3(5)6;1-2-3(4)5;;/h3H,1,4-10H2,2H3;4H,1H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;;+1;-1/b;4-2+;;;
InChIKeyDAOYLNPJHSIMRA-IIDAYTPUSA-N
XLogP1.63
TPSA98.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.63
H-Bond Donors ≤ 53
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene
CID 175594549
hept-1-ene;2-iminopropanoic acid;propanoic acid
CID 175594538
hex-1-ene;2-iminopropanoic acid;propanoic acid
CID 175594560
acetic acid;oct-1-ene
CID 159976970
acetic acid;octadec-1-ene;zinc
CID 175392389
hept-1-ene;2-methylprop-2-enoic acid
CID 158713562
sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid
CID 175594507
dec-1-ene;dec-9-enoic acid
CID 87497067
acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
azane;bis(barium(2+));hydride;bis(octadecanoic acid);undec-10-enoic acid
CID 173307096
potassium;hydride;octadec-1-ene
CID 175063573
magnesium;hydride;oct-1-ene
CID 174305748

Frequently Asked Questions

What is the IUPAC name of sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid?
The IUPAC name of sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid (CID 175594517) is sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid.
What is the SMILES notation for sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid?
The canonical SMILES for sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid is C=CCCCCCCCC.CCC(=O)O.[H-].[H]/N=C(\C)C(=O)O.[Na+].
What is the InChIKey of sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid?
The InChIKey is DAOYLNPJHSIMRA-IIDAYTPUSA-N. The full InChI is InChI=1S/C10H20.C3H5NO2.C3H6O2.Na.H/c1-3-5-7-9-10-8-6-4-2;1-2(4)3(5)6;1-2-3(4)5;;/h3H,1,4-10H2,2H3;4H,1H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;;+1;-1/b;4-2+;;;.
What are the key properties of sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid?
sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid has a molecular weight of 325.43 g/mol, XLogP of 1.63, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid is sourced from PubChem (CID 175594517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).