prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate

C8H15NO2S — CID 86346309

IUPACprop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate
SMILESC=CCOC(=O)[C@H](N)CCSC
InChIInChI=1S/C8H15NO2S/c1-3-5-11-8(10)7(9)4-6-12-2/h3,7H,1,4-6,9H2,2H3/t7-/m1/s1
InChIKeyLYFIDLJDRXPGEI-SSDOTTSWSA-N
MW189.28 g/mol
LogP0.80
Rot. Bonds6

About prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate

prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate (PubChem CID 86346309) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate.

Molecular Properties

Compound Nameprop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate
PubChem CID86346309
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Nameprop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate
SMILESC=CCOC(=O)[C@H](N)CCSC
InChIInChI=1S/C8H15NO2S/c1-3-5-11-8(10)7(9)4-6-12-2/h3,7H,1,4-6,9H2,2H3/t7-/m1/s1
InChIKeyLYFIDLJDRXPGEI-SSDOTTSWSA-N
XLogP0.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-methylsulfanylbutanoyl)oxymethyl 2-amino-4-methylsulfanylbutanoate
CID 158198459
2,3-bis[[(2S)-2-amino-4-methylsulfanylbutanoyl]oxy]propyl (2S)-2-amino-4-methylsulfanylbutanoate;prop-2-enoic acid
CID 87480288
2-[2-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87587712
amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 141292126
methyl 2-amino-4-methylsulfanylbutanoate chloride
CID 170923229
iodo (2S)-2-amino-4-methylsulfanylbutanoate
CID 18444120
2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide
CID 76892115
methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
CID 138397899
(2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide
CID 87308343
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008
(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
CID 88715356
2,3-diaminopropanoyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 88794349

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate?
The IUPAC name of prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate (CID 86346309) is prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate.
What is the SMILES notation for prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate?
The canonical SMILES for prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate is C=CCOC(=O)[C@H](N)CCSC.
What is the InChIKey of prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate?
The InChIKey is LYFIDLJDRXPGEI-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-5-11-8(10)7(9)4-6-12-2/h3,7H,1,4-6,9H2,2H3/t7-/m1/s1.
What are the key properties of prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate?
prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate has a molecular weight of 189.28 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate is sourced from PubChem (CID 86346309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).