(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde

C6H13NO3S — CID 161434008

IUPAC(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
SMILESC=O.CSCC[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2S.CH2O/c1-9-3-2-4(6)5(7)8;1-2/h4H,2-3,6H2,1H3,(H,7,8);1H2/t4-;/m0./s1
InChIKeyVYKBJKXWFLJOSC-WCCKRBBISA-N
MW179.24 g/mol
LogP-0.03
Rot. Bonds4

About (2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde

(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde (PubChem CID 161434008) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
PubChem CID161434008
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
SMILESC=O.CSCC[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2S.CH2O/c1-9-3-2-4(6)5(7)8;1-2/h4H,2-3,6H2,1H3,(H,7,8);1H2/t4-;/m0./s1
InChIKeyVYKBJKXWFLJOSC-WCCKRBBISA-N
XLogP-0.03
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
CID 88715356
(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
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
2-amino-4-methylsulfanylbutanoic acid
CID 876
(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
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151
(2S)-2-amino-4-methylsulfanylbutanoic acid;methylsulfanium;bromide
CID 57348970

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde?
The IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde (CID 161434008) is (2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde?
The canonical SMILES for (2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde is C=O.CSCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde?
The InChIKey is VYKBJKXWFLJOSC-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2S.CH2O/c1-9-3-2-4(6)5(7)8;1-2/h4H,2-3,6H2,1H3,(H,7,8);1H2/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde?
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde has a molecular weight of 179.24 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde is sourced from PubChem (CID 161434008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).