(2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid

C6H14N2O4S — CID 142626015

IUPAC(2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid
SMILESCC(C)([C@H](NN)C(=O)O)S(C)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-6(2,13(3,11)12)4(8-7)5(9)10/h4,8H,7H2,1-3H3,(H,9,10)/t4-/m1/s1
InChIKeyBKQAZLWQLZBQFK-SCSAIBSYSA-N
MW210.25 g/mol
LogP-1.27
Rot. Bonds4

About (2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid

(2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid (PubChem CID 142626015) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is (2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid
PubChem CID142626015
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name(2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid
SMILESCC(C)([C@H](NN)C(=O)O)S(C)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-6(2,13(3,11)12)4(8-7)5(9)10/h4,8H,7H2,1-3H3,(H,9,10)/t4-/m1/s1
InChIKeyBKQAZLWQLZBQFK-SCSAIBSYSA-N
XLogP-1.27
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105282659
(2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid
CID 139696264
(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine
CID 105329070
N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine
CID 105005182
(1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105321743
2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 43468064
(2R)-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927053
(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine
CID 105331426
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 54951162
(2R)-3,3-dimethyl-2-(3-methylsulfonylpropanoylamino)butanoic acid
CID 93054880
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105336270
3,3-dimethyl-2-(methylamino)butanoic acid;ethane
CID 143824756

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid?
The IUPAC name of (2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid (CID 142626015) is (2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid.
What is the SMILES notation for (2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid?
The canonical SMILES for (2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid is CC(C)([C@H](NN)C(=O)O)S(C)(=O)=O.
What is the InChIKey of (2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid?
The InChIKey is BKQAZLWQLZBQFK-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-6(2,13(3,11)12)4(8-7)5(9)10/h4,8H,7H2,1-3H3,(H,9,10)/t4-/m1/s1.
What are the key properties of (2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid?
(2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid has a molecular weight of 210.25 g/mol, XLogP of -1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid is sourced from PubChem (CID 142626015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).