(2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite

C6H15Br2N3O2 — CID 158164073

IUPAC(2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite
SMILESBrOBr.CC(C)C[C@H](N)C(=O)NN
InChIInChI=1S/C6H15N3O.Br2O/c1-4(2)3-5(7)6(10)9-8;1-3-2/h4-5H,3,7-8H2,1-2H3,(H,9,10);/t5-;/m0./s1
InChIKeyFWQAFNQRHPLMNR-JEDNCBNOSA-N
MW321.01 g/mol
LogP0.97
Rot. Bonds3

About (2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite

(2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite (PubChem CID 158164073) has the molecular formula C6H15Br2N3O2 and a molecular weight of 321.01 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite
PubChem CID158164073
Molecular FormulaC6H15Br2N3O2
Molecular Weight321.01 g/mol
Exact Mass318.95
IUPAC Name(2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite
SMILESBrOBr.CC(C)C[C@H](N)C(=O)NN
InChIInChI=1S/C6H15N3O.Br2O/c1-4(2)3-5(7)6(10)9-8;1-3-2/h4-5H,3,7-8H2,1-2H3,(H,9,10);/t5-;/m0./s1
InChIKeyFWQAFNQRHPLMNR-JEDNCBNOSA-N
XLogP0.97
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
(2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite
CID 158556159
methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380
methyl (2S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoate
CID 43707626
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 15598024
(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide
CID 18652043
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
2-aminobutanedihydrazide
CID 13018203
3-amino-4-hydrazinyl-4-oxobutanoic acid
CID 18780182
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
(2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
CID 104903880

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite?
The IUPAC name of (2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite (CID 158164073) is (2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite.
What is the SMILES notation for (2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite?
The canonical SMILES for (2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite is BrOBr.CC(C)C[C@H](N)C(=O)NN.
What is the InChIKey of (2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite?
The InChIKey is FWQAFNQRHPLMNR-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H15N3O.Br2O/c1-4(2)3-5(7)6(10)9-8;1-3-2/h4-5H,3,7-8H2,1-2H3,(H,9,10);/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite?
(2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite has a molecular weight of 321.01 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite is sourced from PubChem (CID 158164073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).