sodium;2-(hexadecylamino)acetic acid;hydride

C18H38NNaO2 — CID 174739572

IUPACsodium;2-(hexadecylamino)acetic acid;hydride
SMILESCCCCCCCCCCCCCCCCNCC(=O)O.[H-].[Na+]
InChIInChI=1S/C18H37NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18(20)21;;/h19H,2-17H2,1H3,(H,20,21);;/q;+1;-1
InChIKeyJDGNDJWZEUDYTM-UHFFFAOYSA-N
MW323.50 g/mol
LogP2.26
Rot. Bonds17

About sodium;2-(hexadecylamino)acetic acid;hydride

sodium;2-(hexadecylamino)acetic acid;hydride (PubChem CID 174739572) has the molecular formula C18H38NNaO2 and a molecular weight of 323.50 g/mol. Its IUPAC name is sodium;2-(hexadecylamino)acetic acid;hydride.

Molecular Properties

Compound Namesodium;2-(hexadecylamino)acetic acid;hydride
PubChem CID174739572
Molecular FormulaC18H38NNaO2
Molecular Weight323.50 g/mol
Exact Mass323.28
IUPAC Namesodium;2-(hexadecylamino)acetic acid;hydride
SMILESCCCCCCCCCCCCCCCCNCC(=O)O.[H-].[Na+]
InChIInChI=1S/C18H37NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18(20)21;;/h19H,2-17H2,1H3,(H,20,21);;/q;+1;-1
InChIKeyJDGNDJWZEUDYTM-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.50
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium;2-(hexadecylamino)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-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
CID 10091506
sodium;hydride;3-(octylamino)propanoic acid
CID 175337848
sodium;3-(hexadecylamino)propanoic acid;hydride
CID 175392938
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
2-(octadeca-9,12-dienylamino)acetic acid
CID 54420712
12-(pentylamino)dodecanoic acid
CID 57245176
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565

Frequently Asked Questions

What is the IUPAC name of sodium;2-(hexadecylamino)acetic acid;hydride?
The IUPAC name of sodium;2-(hexadecylamino)acetic acid;hydride (CID 174739572) is sodium;2-(hexadecylamino)acetic acid;hydride.
What is the SMILES notation for sodium;2-(hexadecylamino)acetic acid;hydride?
The canonical SMILES for sodium;2-(hexadecylamino)acetic acid;hydride is CCCCCCCCCCCCCCCCNCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-(hexadecylamino)acetic acid;hydride?
The InChIKey is JDGNDJWZEUDYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18(20)21;;/h19H,2-17H2,1H3,(H,20,21);;/q;+1;-1.
What are the key properties of sodium;2-(hexadecylamino)acetic acid;hydride?
sodium;2-(hexadecylamino)acetic acid;hydride has a molecular weight of 323.50 g/mol, XLogP of 2.26, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(hexadecylamino)acetic acid;hydride is sourced from PubChem (CID 174739572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).