sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride

C16H35N2NaO2 — CID 173013848

IUPACsodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride
SMILESCCCCCCCCCCCCNN(CC)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C16H34N2O2.Na.H/c1-3-5-6-7-8-9-10-11-12-13-14-17-18(4-2)15-16(19)20;;/h17H,3-15H2,1-2H3,(H,19,20);;/q;+1;-1
InChIKeyZAWZMUCSWYZRAF-UHFFFAOYSA-N
MW310.46 g/mol
LogP0.93
Rot. Bonds15

About sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride

sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride (PubChem CID 173013848) has the molecular formula C16H35N2NaO2 and a molecular weight of 310.46 g/mol. Its IUPAC name is sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride.

Molecular Properties

Compound Namesodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride
PubChem CID173013848
Molecular FormulaC16H35N2NaO2
Molecular Weight310.46 g/mol
Exact Mass310.26
IUPAC Namesodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride
SMILESCCCCCCCCCCCCNN(CC)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C16H34N2O2.Na.H/c1-3-5-6-7-8-9-10-11-12-13-14-17-18(4-2)15-16(19)20;;/h17H,3-15H2,1-2H3,(H,19,20);;/q;+1;-1
InChIKeyZAWZMUCSWYZRAF-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride 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-[octacosyl-(pentylamino)amino]acetic acid
CID 174923195
tris(2-[bis(carboxymethyl)amino]acetic acid);N-tetradecyltetradecan-1-amine
CID 158230868
1-ethyl-2-octadecyl-1-propylhydrazine;hydrochloride
CID 174390243
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572
sodium;3-(hexadecylamino)propanoic acid;hydride
CID 175392938
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
sodium;hydride;3-(octylamino)propanoic acid
CID 175337848
2-[methyl(pentadecylcarbamoyl)amino]acetic acid
CID 20527934
2-[bis[1-(tridecylamino)ethyl]amino]acetic acid
CID 101326174
sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479
disodium;hydride;tetradecanoic acid
CID 175149200
carbonic acid;N-hexylhexan-1-amine
CID 174995198

Frequently Asked Questions

What is the IUPAC name of sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride?
The IUPAC name of sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride (CID 173013848) is sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride.
What is the SMILES notation for sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride?
The canonical SMILES for sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride is CCCCCCCCCCCCNN(CC)CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride?
The InChIKey is ZAWZMUCSWYZRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2.Na.H/c1-3-5-6-7-8-9-10-11-12-13-14-17-18(4-2)15-16(19)20;;/h17H,3-15H2,1-2H3,(H,19,20);;/q;+1;-1.
What are the key properties of sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride?
sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride has a molecular weight of 310.46 g/mol, XLogP of 0.93, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride is sourced from PubChem (CID 173013848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).