sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride

C6H12NNaO3 — CID 174873015

IUPACsodium;formyl (2S)-2-amino-3-methylbutanoate;hydride
SMILESCC(C)[C@H](N)C(=O)OC=O.[H-].[Na+]
InChIInChI=1S/C6H11NO3.Na.H/c1-4(2)5(7)6(9)10-3-8;;/h3-5H,7H2,1-2H3;;/q;+1;-1/t5-;;/m0../s1
InChIKeyLVFQNCSXBQMHMP-XRIGFGBMSA-N
MW169.16 g/mol
LogP-3.21
Rot. Bonds3

About sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride

sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride (PubChem CID 174873015) has the molecular formula C6H12NNaO3 and a molecular weight of 169.16 g/mol. Its IUPAC name is sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride.

Molecular Properties

Compound Namesodium;formyl (2S)-2-amino-3-methylbutanoate;hydride
PubChem CID174873015
Molecular FormulaC6H12NNaO3
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Namesodium;formyl (2S)-2-amino-3-methylbutanoate;hydride
SMILESCC(C)[C@H](N)C(=O)OC=O.[H-].[Na+]
InChIInChI=1S/C6H11NO3.Na.H/c1-4(2)5(7)6(9)10-3-8;;/h3-5H,7H2,1-2H3;;/q;+1;-1/t5-;;/m0../s1
InChIKeyLVFQNCSXBQMHMP-XRIGFGBMSA-N
XLogP-3.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-3.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

amino (2R)-2-amino-3-methylbutanoate
CID 135308017
(1-formyloxy-2-methylpropyl) 2-amino-3-methylbutanoate
CID 121405709
[(1S)-1-formyloxy-2-methylpropyl] (2S)-2-amino-3-methylbutanoate
CID 121405560
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
1-hydroxyethyl 2-amino-3-methylbutanoate
CID 87071351
iodo 2-amino-3-methylbutanoate
CID 76549706
(2S)-2-amino-3-methylbutanoic acid;formic acid
CID 160949818
calcium;sodium;formyl acetate;hydride
CID 173454549
iodomethyl (2S)-2-amino-3-methylbutanoate
CID 141352500
1-iodoethyl 2-amino-3-methylbutanoate
CID 122533786
sodium;diformyl 2-methoxybutanedioate;hydride
CID 174360377
sodium;hydride;undec-10-enyl (2S)-2-amino-3-methylbutanoate
CID 173314376

Frequently Asked Questions

What is the IUPAC name of sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride?
The IUPAC name of sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride (CID 174873015) is sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride.
What is the SMILES notation for sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride?
The canonical SMILES for sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride is CC(C)[C@H](N)C(=O)OC=O.[H-].[Na+].
What is the InChIKey of sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride?
The InChIKey is LVFQNCSXBQMHMP-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H11NO3.Na.H/c1-4(2)5(7)6(9)10-3-8;;/h3-5H,7H2,1-2H3;;/q;+1;-1/t5-;;/m0../s1.
What are the key properties of sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride?
sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride has a molecular weight of 169.16 g/mol, XLogP of -3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride is sourced from PubChem (CID 174873015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).