sodium;hydride;3-nonyliminopropanoic acid;propanoic acid

C15H30NNaO4 — CID 174050378

IUPACsodium;hydride;3-nonyliminopropanoic acid;propanoic acid
SMILESCCC(=O)O.CCCCCCCCC/N=C/CC(=O)O.[H-].[Na+]
InChIInChI=1S/C12H23NO2.C3H6O2.Na.H/c1-2-3-4-5-6-7-8-10-13-11-9-12(14)15;1-2-3(4)5;;/h11H,2-10H2,1H3,(H,14,15);2H2,1H3,(H,4,5);;/q;;+1;-1/b13-11+;;;
InChIKeyNFCVCQZPPKUQJY-WNHODISBSA-N
MW311.40 g/mol
LogP0.88
Rot. Bonds11

About sodium;hydride;3-nonyliminopropanoic acid;propanoic acid

sodium;hydride;3-nonyliminopropanoic acid;propanoic acid (PubChem CID 174050378) has the molecular formula C15H30NNaO4 and a molecular weight of 311.40 g/mol. Its IUPAC name is sodium;hydride;3-nonyliminopropanoic acid;propanoic acid.

Molecular Properties

Compound Namesodium;hydride;3-nonyliminopropanoic acid;propanoic acid
PubChem CID174050378
Molecular FormulaC15H30NNaO4
Molecular Weight311.40 g/mol
Exact Mass311.21
IUPAC Namesodium;hydride;3-nonyliminopropanoic acid;propanoic acid
SMILESCCC(=O)O.CCCCCCCCC/N=C/CC(=O)O.[H-].[Na+]
InChIInChI=1S/C12H23NO2.C3H6O2.Na.H/c1-2-3-4-5-6-7-8-10-13-11-9-12(14)15;1-2-3(4)5;;/h11H,2-10H2,1H3,(H,14,15);2H2,1H3,(H,4,5);;/q;;+1;-1/b13-11+;;;
InChIKeyNFCVCQZPPKUQJY-WNHODISBSA-N
XLogP0.88
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;hydride;3-nonyliminopropanoic 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

2-[bis(2-hydroxyethyl)amino]ethanol;3-dodecyliminopropanoic acid;propanoic acid
CID 175594555
decane;propanoic acid
CID 158826686
5-icosyliminopent-2-ene-1,3-diol
CID 175057844
2-tetradecyliminoacetic acid
CID 88692071
azane;dodecane;propanoic acid
CID 173003652
5-hexylimino-2-methylpent-2-enoic acid
CID 175013194
3-heptyliminopropyl propanoate
CID 175487113
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
disodium;hydride;icosanoic acid
CID 175560905
decanoic acid;propanoic acid
CID 87792095

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-nonyliminopropanoic acid;propanoic acid?
The IUPAC name of sodium;hydride;3-nonyliminopropanoic acid;propanoic acid (CID 174050378) is sodium;hydride;3-nonyliminopropanoic acid;propanoic acid.
What is the SMILES notation for sodium;hydride;3-nonyliminopropanoic acid;propanoic acid?
The canonical SMILES for sodium;hydride;3-nonyliminopropanoic acid;propanoic acid is CCC(=O)O.CCCCCCCCC/N=C/CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-nonyliminopropanoic acid;propanoic acid?
The InChIKey is NFCVCQZPPKUQJY-WNHODISBSA-N. The full InChI is InChI=1S/C12H23NO2.C3H6O2.Na.H/c1-2-3-4-5-6-7-8-10-13-11-9-12(14)15;1-2-3(4)5;;/h11H,2-10H2,1H3,(H,14,15);2H2,1H3,(H,4,5);;/q;;+1;-1/b13-11+;;;.
What are the key properties of sodium;hydride;3-nonyliminopropanoic acid;propanoic acid?
sodium;hydride;3-nonyliminopropanoic acid;propanoic acid has a molecular weight of 311.40 g/mol, XLogP of 0.88, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-nonyliminopropanoic acid;propanoic acid is sourced from PubChem (CID 174050378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).