sodium;(2S)-2-amino-4-methylpentanoic acid;hydride

C6H14NNaO2 — CID 173065319

IUPACsodium;(2S)-2-amino-4-methylpentanoic acid;hydride
SMILESCC(C)C[C@H](N)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H13NO2.Na.H/c1-4(2)3-5(7)6(8)9;;/h4-5H,3,7H2,1-2H3,(H,8,9);;/q;+1;-1/t5-;;/m0../s1
InChIKeySPLOSDQVBGUVFZ-XRIGFGBMSA-N
MW155.17 g/mol
LogP-2.44
Rot. Bonds3

About sodium;(2S)-2-amino-4-methylpentanoic acid;hydride

sodium;(2S)-2-amino-4-methylpentanoic acid;hydride (PubChem CID 173065319) has the molecular formula C6H14NNaO2 and a molecular weight of 155.17 g/mol. Its IUPAC name is sodium;(2S)-2-amino-4-methylpentanoic acid;hydride.

Molecular Properties

Compound Namesodium;(2S)-2-amino-4-methylpentanoic acid;hydride
PubChem CID173065319
Molecular FormulaC6H14NNaO2
Molecular Weight155.17 g/mol
Exact Mass155.09
IUPAC Namesodium;(2S)-2-amino-4-methylpentanoic acid;hydride
SMILESCC(C)C[C@H](N)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H13NO2.Na.H/c1-4(2)3-5(7)6(8)9;;/h4-5H,3,7H2,1-2H3,(H,8,9);;/q;+1;-1/t5-;;/m0../s1
InChIKeySPLOSDQVBGUVFZ-XRIGFGBMSA-N
XLogP-2.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 5-2.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227
(2S)-2-amino-4-methylpentanoic acid;propanoic acid
CID 158078275
acetyl chloride;(2S)-2-amino-4-methylpentanoic acid;hydrochloride
CID 56924245
tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)
CID 23551161

Frequently Asked Questions

What is the IUPAC name of sodium;(2S)-2-amino-4-methylpentanoic acid;hydride?
The IUPAC name of sodium;(2S)-2-amino-4-methylpentanoic acid;hydride (CID 173065319) is sodium;(2S)-2-amino-4-methylpentanoic acid;hydride.
What is the SMILES notation for sodium;(2S)-2-amino-4-methylpentanoic acid;hydride?
The canonical SMILES for sodium;(2S)-2-amino-4-methylpentanoic acid;hydride is CC(C)C[C@H](N)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;(2S)-2-amino-4-methylpentanoic acid;hydride?
The InChIKey is SPLOSDQVBGUVFZ-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H13NO2.Na.H/c1-4(2)3-5(7)6(8)9;;/h4-5H,3,7H2,1-2H3,(H,8,9);;/q;+1;-1/t5-;;/m0../s1.
What are the key properties of sodium;(2S)-2-amino-4-methylpentanoic acid;hydride?
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride has a molecular weight of 155.17 g/mol, XLogP of -2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2S)-2-amino-4-methylpentanoic acid;hydride is sourced from PubChem (CID 173065319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).