2-amino-3-methylpentanoic acid;sulfuric acid

C6H15NO6S — CID 87083473

IUPAC2-amino-3-methylpentanoic acid;sulfuric acid
SMILESCCC(C)C(N)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C6H13NO2.H2O4S/c1-3-4(2)5(7)6(8)9;1-5(2,3)4/h4-5H,3,7H2,1-2H3,(H,8,9);(H2,1,2,3,4)
InChIKeyFQEGIMDQLWZQNJ-UHFFFAOYSA-N
MW229.25 g/mol
LogP-0.21
Rot. Bonds3

About 2-amino-3-methylpentanoic acid;sulfuric acid

2-amino-3-methylpentanoic acid;sulfuric acid (PubChem CID 87083473) has the molecular formula C6H15NO6S and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-amino-3-methylpentanoic acid;sulfuric acid.

Molecular Properties

Compound Name2-amino-3-methylpentanoic acid;sulfuric acid
PubChem CID87083473
Molecular FormulaC6H15NO6S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name2-amino-3-methylpentanoic acid;sulfuric acid
SMILESCCC(C)C(N)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C6H13NO2.H2O4S/c1-3-4(2)5(7)6(8)9;1-5(2,3)4/h4-5H,3,7H2,1-2H3,(H,8,9);(H2,1,2,3,4)
InChIKeyFQEGIMDQLWZQNJ-UHFFFAOYSA-N
XLogP-0.21
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

lithium;(2S,3S)-2-amino-3-methylpentanoic acid;hydride
CID 173147542
(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
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
CID 174851375
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344
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 2-amino-3-methylpentanoic acid;sulfuric acid?
The IUPAC name of 2-amino-3-methylpentanoic acid;sulfuric acid (CID 87083473) is 2-amino-3-methylpentanoic acid;sulfuric acid.
What is the SMILES notation for 2-amino-3-methylpentanoic acid;sulfuric acid?
The canonical SMILES for 2-amino-3-methylpentanoic acid;sulfuric acid is CCC(C)C(N)C(=O)O.O=S(=O)(O)O.
What is the InChIKey of 2-amino-3-methylpentanoic acid;sulfuric acid?
The InChIKey is FQEGIMDQLWZQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.H2O4S/c1-3-4(2)5(7)6(8)9;1-5(2,3)4/h4-5H,3,7H2,1-2H3,(H,8,9);(H2,1,2,3,4).
What are the key properties of 2-amino-3-methylpentanoic acid;sulfuric acid?
2-amino-3-methylpentanoic acid;sulfuric acid has a molecular weight of 229.25 g/mol, XLogP of -0.21, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylpentanoic acid;sulfuric acid is sourced from PubChem (CID 87083473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).