(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid

C20H39NO4 — CID 57494721

IUPAC(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-18(16-17-22)20(24)25/h18,22H,2-17H2,1H3,(H,21,23)(H,24,25)/t18-/m0/s1
InChIKeyGYSOJFKWYUVNCE-SFHVURJKSA-N
MW357.54 g/mol
LogP4.42
Rot. Bonds18

About (2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid

(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid (PubChem CID 57494721) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is (2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid
PubChem CID57494721
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC Name(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-18(16-17-22)20(24)25/h18,22H,2-17H2,1H3,(H,21,23)(H,24,25)/t18-/m0/s1
InChIKeyGYSOJFKWYUVNCE-SFHVURJKSA-N
XLogP4.42
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(hexadecanoylamino)-4-hydroxybutanoic 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

4-hydroxy-2-(nonanoylamino)butanoic acid
CID 61242764
(2S)-2-(dodecanoylamino)-4-hydroxybutanoic acid
CID 54204964
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
sodium;(2R)-2-(hexadecanoylamino)pentanedioic acid;hydride
CID 173283992
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
5-(1-carboxybutylamino)-2-(icosanoylamino)-5-oxopentanoic acid
CID 58954563
2-(4-hydroxybutanoylamino)heptanoic acid
CID 170404241
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
N-Myristoyl-L-glutamic acid sodium salt
CID 87532244
alumane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173075186

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid (CID 57494721) is (2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid is CCCCCCCCCCCCCCCC(=O)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid?
The InChIKey is GYSOJFKWYUVNCE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-18(16-17-22)20(24)25/h18,22H,2-17H2,1H3,(H,21,23)(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid?
(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid has a molecular weight of 357.54 g/mol, XLogP of 4.42, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 57494721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).