sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid

C19H38NNaO3 — CID 174755034

IUPACsodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid
SMILESCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)C(C)C.[H-].[Na+]
InChIInChI=1S/C19H37NO3.Na.H/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(21)20-18(16(2)3)19(22)23;;/h16,18H,4-15H2,1-3H3,(H,20,21)(H,22,23);;/q;+1;-1/t18-;;/m0../s1
InChIKeyLFLSSTIXEJUBAW-NTEVMMBTSA-N
MW351.51 g/mol
LogP2.03
Rot. Bonds15

About sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid

sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid (PubChem CID 174755034) has the molecular formula C19H38NNaO3 and a molecular weight of 351.51 g/mol. Its IUPAC name is sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid.

Molecular Properties

Compound Namesodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid
PubChem CID174755034
Molecular FormulaC19H38NNaO3
Molecular Weight351.51 g/mol
Exact Mass351.27
IUPAC Namesodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid
SMILESCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)C(C)C.[H-].[Na+]
InChIInChI=1S/C19H37NO3.Na.H/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(21)20-18(16(2)3)19(22)23;;/h16,18H,4-15H2,1-3H3,(H,20,21)(H,22,23);;/q;+1;-1/t18-;;/m0../s1
InChIKeyLFLSSTIXEJUBAW-NTEVMMBTSA-N
XLogP2.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hexadecanoylamino)-3-methylbutanoic acid
CID 3687398
(2S)-3-methyl-2-(tetracosanoylamino)butanoic acid
CID 171117118
(2R)-3-methyl-2-(nonanoylamino)butanoic acid
CID 79010632
3-hydroxy-2-(icosanoylamino)butanoic acid
CID 18762052
3-hydroxy-2-(octadecanoylamino)butanoic acid
CID 5033246
(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid
CID 90103155
(2S)-2-(docosanoylamino)-3-methylpentanoic acid
CID 139298732
3-methyl-2-(tetradecanoylamino)pentanoic acid
CID 13002787
(2S,3S)-2-(henicosanoylamino)-3-methylpentanoic acid
CID 171116876
(2S)-3-methyl-2-(octadecanoylamino)pentanoic acid
CID 90103267
(2S,3S)-3-methyl-2-(pentadecanoylamino)pentanoic acid
CID 10196275
2-(henicosanoylamino)-3-methylpentanoic acid
CID 11690720

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid?
The IUPAC name of sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid (CID 174755034) is sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid.
What is the SMILES notation for sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid?
The canonical SMILES for sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid is CCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)C(C)C.[H-].[Na+].
What is the InChIKey of sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid?
The InChIKey is LFLSSTIXEJUBAW-NTEVMMBTSA-N. The full InChI is InChI=1S/C19H37NO3.Na.H/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(21)20-18(16(2)3)19(22)23;;/h16,18H,4-15H2,1-3H3,(H,20,21)(H,22,23);;/q;+1;-1/t18-;;/m0../s1.
What are the key properties of sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid?
sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid has a molecular weight of 351.51 g/mol, XLogP of 2.03, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid is sourced from PubChem (CID 174755034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).