sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid

C17H34NNaO2 — CID 173211622

IUPACsodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid
SMILESCCCCCCCCCC/C=N/[C@@H](CC(C)C)C(=O)O.[H-].[Na+]
InChIInChI=1S/C17H33NO2.Na.H/c1-4-5-6-7-8-9-10-11-12-13-18-16(17(19)20)14-15(2)3;;/h13,15-16H,4-12,14H2,1-3H3,(H,19,20);;/q;+1;-1/b18-13+;;/t16-;;/m0../s1
InChIKeyJEFQFOBCFJOGRZ-NCFXOZOFSA-N
MW307.45 g/mol
LogP2.20
Rot. Bonds13

About sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid

sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid (PubChem CID 173211622) has the molecular formula C17H34NNaO2 and a molecular weight of 307.45 g/mol. Its IUPAC name is sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid.

Molecular Properties

Compound Namesodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid
PubChem CID173211622
Molecular FormulaC17H34NNaO2
Molecular Weight307.45 g/mol
Exact Mass307.25
IUPAC Namesodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid
SMILESCCCCCCCCCC/C=N/[C@@H](CC(C)C)C(=O)O.[H-].[Na+]
InChIInChI=1S/C17H33NO2.Na.H/c1-4-5-6-7-8-9-10-11-12-13-18-16(17(19)20)14-15(2)3;;/h13,15-16H,4-12,14H2,1-3H3,(H,19,20);;/q;+1;-1/b18-13+;;/t16-;;/m0../s1
InChIKeyJEFQFOBCFJOGRZ-NCFXOZOFSA-N
XLogP2.20
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-methyl-2-(undecylideneamino)pentanoic acid
CID 87991654
4-Methyl-2-(2-methylpropylideneamino)pentanoic acid
CID 14469826
2-(Ethylideneamino)-4-methylpentanoic acid
CID 87797050
(2S)-3-methyl-2-(undecylideneamino)butanoic acid
CID 87991050
disodium;(2S)-4-methyl-2-(1-oxidododecylideneamino)pentanoate
CID 89052369
sodium N-[(1S)-1-carboxy-2-methylpropyl]dodecanimidate
CID 101668457
sodium N-[(1S)-1-carboxy-3-methylbutyl]dodecanimidate
CID 102065034
(2S,3S)-3-methyl-2-(octylideneamino)pentanoic acid
CID 141005380
sodium;hydride;(2S)-3-methyl-2-(undecylideneamino)butanoic acid
CID 173211739
(2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid
CID 10560941
methyl (2S)-2-(decylideneamino)-4-methylpentanoate
CID 24807285
methyl (2R)-2-(decylideneamino)-4-methylpentanoate
CID 24807656

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid?
The IUPAC name of sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid (CID 173211622) is sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid.
What is the SMILES notation for sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid?
The canonical SMILES for sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid is CCCCCCCCCC/C=N/[C@@H](CC(C)C)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid?
The InChIKey is JEFQFOBCFJOGRZ-NCFXOZOFSA-N. The full InChI is InChI=1S/C17H33NO2.Na.H/c1-4-5-6-7-8-9-10-11-12-13-18-16(17(19)20)14-15(2)3;;/h13,15-16H,4-12,14H2,1-3H3,(H,19,20);;/q;+1;-1/b18-13+;;/t16-;;/m0../s1.
What are the key properties of sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid?
sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid has a molecular weight of 307.45 g/mol, XLogP of 2.20, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid is sourced from PubChem (CID 173211622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).