(2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid

C7H13NO2S — CID 130301190

IUPAC(2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid
SMILESC=CN[C@@H](CCSC)C(=O)O
InChIInChI=1S/C7H13NO2S/c1-3-8-6(7(9)10)4-5-11-2/h3,6,8H,1,4-5H2,2H3,(H,9,10)/t6-/m0/s1
InChIKeyGKPGUINWVQZCPU-LURJTMIESA-N
MW175.25 g/mol
LogP0.93
Rot. Bonds6

About (2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid

(2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid (PubChem CID 130301190) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid
PubChem CID130301190
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid
SMILESC=CN[C@@H](CCSC)C(=O)O
InChIInChI=1S/C7H13NO2S/c1-3-8-6(7(9)10)4-5-11-2/h3,6,8H,1,4-5H2,2H3,(H,9,10)/t6-/m0/s1
InChIKeyGKPGUINWVQZCPU-LURJTMIESA-N
XLogP0.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-2-(oxidoamino)butanoic acid
CID 22493019
(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
(2S)-2-(methoxyamino)-4-methylsulfanylbutanoic acid
CID 154085553
2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel
CID 174611803
(2S)-4-methylsulfanyl-2-(methylsulfanylamino)butanoic acid
CID 54567082
(2R)-4-methylsulfanyl-2-(prop-2-enylcarbamoylamino)butanoic acid
CID 40640546
(2S)-2-(carboxyamino)-4-methylsulfanylbutanoic acid;zinc
CID 174928260
(2R)-2-acetamido-4-methylsulfanylbutanoic acid
CID 6991987
(2R)-2-[[6-[[(1R)-1-carboxy-3-methylsulfanylpropyl]amino]-6-oxohexanoyl]amino]-4-methylsulfanylbutanoic acid
CID 40571539
3-aminopropanoic acid;2-formamido-4-methylsulfanylbutanoic acid
CID 174949821
2-[[(E)-3,3-dimethylbut-1-enyl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 108911326
CID 170843089
CID 170843089

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid?
The IUPAC name of (2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid (CID 130301190) is (2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid is C=CN[C@@H](CCSC)C(=O)O.
What is the InChIKey of (2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid?
The InChIKey is GKPGUINWVQZCPU-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2S/c1-3-8-6(7(9)10)4-5-11-2/h3,6,8H,1,4-5H2,2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid?
(2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid has a molecular weight of 175.25 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 130301190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).