propan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate

C8H17NO2S — CID 14598399

IUPACpropan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate
SMILESCSCC[C@@H](N)C(=O)OC(C)C
InChIInChI=1S/C8H17NO2S/c1-6(2)11-8(10)7(9)4-5-12-3/h6-7H,4-5,9H2,1-3H3/t7-/m1/s1
InChIKeyWLUAUPQSKOQURS-SSDOTTSWSA-N
MW191.30 g/mol
LogP1.02
Rot. Bonds5

About propan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate

propan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate (PubChem CID 14598399) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is propan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate
PubChem CID14598399
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Namepropan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate
SMILESCSCC[C@@H](N)C(=O)OC(C)C
InChIInChI=1S/C8H17NO2S/c1-6(2)11-8(10)7(9)4-5-12-3/h6-7H,4-5,9H2,1-3H3/t7-/m1/s1
InChIKeyWLUAUPQSKOQURS-SSDOTTSWSA-N
XLogP1.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

L-Methionine, methyl ester, hydrochloride
CID 11435579
Ethyl L-methionate hydrochloride
CID 3083785
methyl (2S)-2-amino-4-(methylsulfanyl)butanoate
CID 64684
L-Methionine, ethyl ester
CID 76508
Ethyl DL-methionate
CID 413279
Methionine methyl ester
CID 351663
DL-Methionine ethyl ester hydrochloride
CID 12641634
ethyl rac-(2R)-2-amino-3-methylsulfanyl-propanoate;hydrochloride
CID 428291
Buthionine sulfoximine ethyl ester
CID 131351
Tert-butyl (2S)-2-amino-4-(methylsulfanyl)butanoate
CID 7010638
Methionine, methyl ester, hydrochloride (1:1)
CID 12888615
Ethyl 2-amino-3-(methylsulfanyl)propanoate hydrochloride
CID 24196718

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate?
The IUPAC name of propan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate (CID 14598399) is propan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate.
What is the SMILES notation for propan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate?
The canonical SMILES for propan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate is CSCC[C@@H](N)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate?
The InChIKey is WLUAUPQSKOQURS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6(2)11-8(10)7(9)4-5-12-3/h6-7H,4-5,9H2,1-3H3/t7-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate?
propan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate has a molecular weight of 191.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-amino-4-methylsulfanylbutanoate is sourced from PubChem (CID 14598399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).