(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid

C5H11NO2S — CID 131708710

IUPAC(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
SMILES[13CH3]SCC[C@H]([15NH2])C(=O)O
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1,6+1
InChIKeyFFEARJCKVFRZRR-CYOIOAPDSA-N
MW151.20 g/mol
LogP0.15
Rot. Bonds4

About (2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid

(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid (PubChem CID 131708710) has the molecular formula C5H11NO2S and a molecular weight of 151.20 g/mol. Its IUPAC name is (2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
PubChem CID131708710
Molecular FormulaC5H11NO2S
Molecular Weight151.20 g/mol
Exact Mass151.05
IUPAC Name(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
SMILES[13CH3]SCC[C@H]([15NH2])C(=O)O
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1,6+1
InChIKeyFFEARJCKVFRZRR-CYOIOAPDSA-N
XLogP0.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
CID 173007920
CID 173007920
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151
(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
CID 88715356
CID 173070734
CID 173070734

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid?
The IUPAC name of (2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid (CID 131708710) is (2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid.
What is the SMILES notation for (2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid?
The canonical SMILES for (2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid is [13CH3]SCC[C@H]([15NH2])C(=O)O.
What is the InChIKey of (2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid?
The InChIKey is FFEARJCKVFRZRR-CYOIOAPDSA-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/i1+1,6+1.
What are the key properties of (2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid?
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid has a molecular weight of 151.20 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid is sourced from PubChem (CID 131708710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).