sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate

C19H34NNaO5 — CID 56843039

IUPACsodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)[O-].[Na+]
InChIInChI=1S/C19H35NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);/q;+1/p-1/t16-;/m0./s1
InChIKeyZNYIJXQYUNSKDX-NTISSMGPSA-M
MW379.47 g/mol
LogP-0.21
Rot. Bonds17

About sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate

sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate (PubChem CID 56843039) has the molecular formula C19H34NNaO5 and a molecular weight of 379.47 g/mol. Its IUPAC name is sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate.

Molecular Properties

Compound Namesodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate
PubChem CID56843039
Molecular FormulaC19H34NNaO5
Molecular Weight379.47 g/mol
Exact Mass379.23
IUPAC Namesodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)[O-].[Na+]
InChIInChI=1S/C19H35NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);/q;+1/p-1/t16-;/m0./s1
InChIKeyZNYIJXQYUNSKDX-NTISSMGPSA-M
XLogP-0.21
TPSA106.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate?
The IUPAC name of sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate (CID 56843039) is sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate.
What is the SMILES notation for sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate?
The canonical SMILES for sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate is CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)[O-].[Na+].
What is the InChIKey of sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate?
The InChIKey is ZNYIJXQYUNSKDX-NTISSMGPSA-M. The full InChI is InChI=1S/C19H35NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);/q;+1/p-1/t16-;/m0./s1.
What are the key properties of sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate?
sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate has a molecular weight of 379.47 g/mol, XLogP of -0.21, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate is sourced from PubChem (CID 56843039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).