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

C6H14N2O2S — CID 139696264

IUPAC(2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid
SMILESCSC(C)(C)[C@H](NN)C(=O)O
InChIInChI=1S/C6H14N2O2S/c1-6(2,11-3)4(8-7)5(9)10/h4,8H,7H2,1-3H3,(H,9,10)/t4-/m1/s1
InChIKeyLKJASPJGWKLQEX-SCSAIBSYSA-N
MW178.26 g/mol
LogP0.04
Rot. Bonds4

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

(2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid (PubChem CID 139696264) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is (2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid
PubChem CID139696264
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name(2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid
SMILESCSC(C)(C)[C@H](NN)C(=O)O
InChIInChI=1S/C6H14N2O2S/c1-6(2,11-3)4(8-7)5(9)10/h4,8H,7H2,1-3H3,(H,9,10)/t4-/m1/s1
InChIKeyLKJASPJGWKLQEX-SCSAIBSYSA-N
XLogP0.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium
CID 160694927
(2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid
CID 142626015
(2R)-2-amino-3-methyl-3-methylsulfanylbutanoic acid;2-hydroxy-3-methyl-3-methylsulfanylbutanoic acid;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid
CID 159021654
(2S)-3,3-dimethyl-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 61144091
2-amino-3-methyl-3-(methyldisulfanyl)butanoic acid
CID 130442227
3,3-dimethyl-2-(methylamino)butanoic acid;ethane
CID 143824756
2-amino-3-[[(1R)-1-amino-1-carboxy-2-methylpropan-2-yl]disulfanyl]-3-methylbutanoic acid
CID 54200597
(2S)-2-[[(1S)-1-hydroxyethyl]amino]-3-methyl-3-sulfanylbutanoic acid
CID 138574275
3-benzylsulfanyl-2-formamido-3-methylbutanoic acid
CID 10084337
(2R)-2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid
CID 100944737
hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 86656444
(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid?
The IUPAC name of (2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid (CID 139696264) is (2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid?
The canonical SMILES for (2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid is CSC(C)(C)[C@H](NN)C(=O)O.
What is the InChIKey of (2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid?
The InChIKey is LKJASPJGWKLQEX-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-6(2,11-3)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-methylsulfanylbutanoic acid?
(2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid has a molecular weight of 178.26 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydrazinyl-3-methyl-3-methylsulfanylbutanoic acid is sourced from PubChem (CID 139696264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).