2-(cyclopropylamino)-4-methylsulfanylbutanoic acid

C8H15NO2S — CID 60812175

IUPAC2-(cyclopropylamino)-4-methylsulfanylbutanoic acid
SMILESCSCCC(NC1CC1)C(=O)O
InChIInChI=1S/C8H15NO2S/c1-12-5-4-7(8(10)11)9-6-2-3-6/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyYZLCKGYOMVFLCV-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.94
Rot. Bonds6

About 2-(cyclopropylamino)-4-methylsulfanylbutanoic acid

2-(cyclopropylamino)-4-methylsulfanylbutanoic acid (PubChem CID 60812175) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-methylsulfanylbutanoic acid
PubChem CID60812175
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-(cyclopropylamino)-4-methylsulfanylbutanoic acid
SMILESCSCCC(NC1CC1)C(=O)O
InChIInChI=1S/C8H15NO2S/c1-12-5-4-7(8(10)11)9-6-2-3-6/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyYZLCKGYOMVFLCV-UHFFFAOYSA-N
XLogP0.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid
CID 89492968
(2S)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-4-methylsulfanylbutanoic acid
CID 7175724
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555
2-(cyclohexylamino)-4-ethylsulfanylbutanoic acid
CID 116504388
2-(cyclopropylamino)heptanoic acid
CID 43754511
4-methylsulfanyl-2-(oxidoamino)butanoic acid
CID 22493019
(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
2-(cyclopropylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanoic acid
CID 65043177
4-(4-tert-butylphenyl)sulfanyl-2-(cyclopropylamino)butanoic acid
CID 63033254
2-[(4-ethylcyclohexyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61468068
2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel
CID 174611803
(2S)-4-methylsulfanyl-2-(methylsulfanylamino)butanoic acid
CID 54567082

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-methylsulfanylbutanoic acid (CID 60812175) is 2-(cyclopropylamino)-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-methylsulfanylbutanoic acid is CSCCC(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-4-methylsulfanylbutanoic acid?
The InChIKey is YZLCKGYOMVFLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-12-5-4-7(8(10)11)9-6-2-3-6/h6-7,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-(cyclopropylamino)-4-methylsulfanylbutanoic acid?
2-(cyclopropylamino)-4-methylsulfanylbutanoic acid has a molecular weight of 189.28 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 60812175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).