sodium (2S,3S)-2-amino-3-methylpentanoic acid

C6H13NNaO2+ — CID 71594993

IUPACsodium (2S,3S)-2-amino-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](N)C(=O)O.[Na+]
InChIInChI=1S/C6H13NO2.Na/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);/q;+1/t4-,5-;/m0./s1
InChIKeyNQZACQYNHPSSFV-FHAQVOQBSA-N
MW154.16 g/mol
LogP-2.55
Rot. Bonds3

About sodium (2S,3S)-2-amino-3-methylpentanoic acid

sodium (2S,3S)-2-amino-3-methylpentanoic acid (PubChem CID 71594993) has the molecular formula C6H13NNaO2+ and a molecular weight of 154.16 g/mol. Its IUPAC name is sodium (2S,3S)-2-amino-3-methylpentanoic acid.

Molecular Properties

Compound Namesodium (2S,3S)-2-amino-3-methylpentanoic acid
PubChem CID71594993
Molecular FormulaC6H13NNaO2+
Molecular Weight154.16 g/mol
Exact Mass154.08
IUPAC Namesodium (2S,3S)-2-amino-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](N)C(=O)O.[Na+]
InChIInChI=1S/C6H13NO2.Na/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);/q;+1/t4-,5-;/m0./s1
InChIKeyNQZACQYNHPSSFV-FHAQVOQBSA-N
XLogP-2.55
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 5-2.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
lithium;(2S,3S)-2-amino-3-methylpentanoic acid;hydride
CID 173147542
bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
CID 174851375
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344
2-amino-3-methylpentanoic acid;sulfuric acid
CID 87083473
2-aminoacetic acid;(2R)-2-amino-3-methylpentanoic acid
CID 87257190
2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid
CID 18783681

Frequently Asked Questions

What is the IUPAC name of sodium (2S,3S)-2-amino-3-methylpentanoic acid?
The IUPAC name of sodium (2S,3S)-2-amino-3-methylpentanoic acid (CID 71594993) is sodium (2S,3S)-2-amino-3-methylpentanoic acid.
What is the SMILES notation for sodium (2S,3S)-2-amino-3-methylpentanoic acid?
The canonical SMILES for sodium (2S,3S)-2-amino-3-methylpentanoic acid is CC[C@H](C)[C@H](N)C(=O)O.[Na+].
What is the InChIKey of sodium (2S,3S)-2-amino-3-methylpentanoic acid?
The InChIKey is NQZACQYNHPSSFV-FHAQVOQBSA-N. The full InChI is InChI=1S/C6H13NO2.Na/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);/q;+1/t4-,5-;/m0./s1.
What are the key properties of sodium (2S,3S)-2-amino-3-methylpentanoic acid?
sodium (2S,3S)-2-amino-3-methylpentanoic acid has a molecular weight of 154.16 g/mol, XLogP of -2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S,3S)-2-amino-3-methylpentanoic acid is sourced from PubChem (CID 71594993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).