deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate

C5H11NO2S — CID 175936457

IUPACdeuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate
SMILES[2H]OC(=O)[C@@H](N)C([2H])CSC
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i2D/hD/t2?,4-
InChIKeyFFEARJCKVFRZRR-ZAYTYGHXSA-N
MW151.23 g/mol
LogP0.15
Rot. Bonds4

About deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate

deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate (PubChem CID 175936457) has the molecular formula C5H11NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate.

Molecular Properties

Compound Namedeuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate
PubChem CID175936457
Molecular FormulaC5H11NO2S
Molecular Weight151.23 g/mol
Exact Mass151.06
IUPAC Namedeuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate
SMILES[2H]OC(=O)[C@@H](N)C([2H])CSC
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i2D/hD/t2?,4-
InChIKeyFFEARJCKVFRZRR-ZAYTYGHXSA-N
XLogP0.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
2-amino-4-methylsulfanylbutanoic acid
CID 876
CID 173070734
CID 173070734
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
CID 173007920
CID 173007920
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
CID 88715356
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008

Frequently Asked Questions

What is the IUPAC name of deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate?
The IUPAC name of deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate (CID 175936457) is deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate.
What is the SMILES notation for deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate?
The canonical SMILES for deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate is [2H]OC(=O)[C@@H](N)C([2H])CSC.
What is the InChIKey of deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate?
The InChIKey is FFEARJCKVFRZRR-ZAYTYGHXSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i2D/hD/t2?,4-.
What are the key properties of deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate?
deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate has a molecular weight of 151.23 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate is sourced from PubChem (CID 175936457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).