(2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid

C7H16N2O2S — CID 175985228

IUPAC(2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid
SMILESCSNN[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C7H16N2O2S/c1-5(2)4-6(7(10)11)8-9-12-3/h5-6,8-9H,4H2,1-3H3,(H,10,11)/t6-/m0/s1
InChIKeyRWFQDCRFZADCQT-LURJTMIESA-N
MW192.28 g/mol
LogP0.86
Rot. Bonds6

About (2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid

(2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid (PubChem CID 175985228) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid
PubChem CID175985228
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid
SMILESCSNN[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C7H16N2O2S/c1-5(2)4-6(7(10)11)8-9-12-3/h5-6,8-9H,4H2,1-3H3,(H,10,11)/t6-/m0/s1
InChIKeyRWFQDCRFZADCQT-LURJTMIESA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-methyl-2-(methylsulfanylamino)pentanoic acid
CID 142463410
(2S)-4-methyl-2-(2-methylsulfanylpropanoylamino)pentanoic acid
CID 119361586
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43183366
6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid
CID 174159805
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
2-(2,4-dimethylpentanoylamino)propanoic acid
CID 90967232
(2S)-2-(deuteriooxyamino)-4-methylpentanoic acid
CID 175756244
(2S)-2-(carboxymethylamino)-4-methylpentanoic acid
CID 15691184
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
(2S)-2-[[(1S)-1-carboxy-3-methylbutyl]carbamoyloxycarbonylamino]-4-methylpentanoic acid
CID 101271395
(2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride
CID 156767748

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid (CID 175985228) is (2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid is CSNN[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid?
The InChIKey is RWFQDCRFZADCQT-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-5(2)4-6(7(10)11)8-9-12-3/h5-6,8-9H,4H2,1-3H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid?
(2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid has a molecular weight of 192.28 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(2-methylsulfanylhydrazinyl)pentanoic acid is sourced from PubChem (CID 175985228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).