(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid

C18H24N2O4S — CID 161034514

IUPAC(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid
SMILESCSCC[C@H](N)C(=O)O.N[C@@H](Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C13H13NO2.C5H11NO2S/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10;1-9-3-2-4(6)5(7)8/h1-7,12H,8,14H2,(H,15,16);4H,2-3,6H2,1H3,(H,7,8)/t12-;4-/m00/s1
InChIKeyUABONJRNPXQJDW-GOYLBZKJSA-N
MW364.47 g/mol
LogP1.95
Rot. Bonds7

About (2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid

(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid (PubChem CID 161034514) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid
PubChem CID161034514
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid
SMILESCSCC[C@H](N)C(=O)O.N[C@@H](Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C13H13NO2.C5H11NO2S/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10;1-9-3-2-4(6)5(7)8/h1-7,12H,8,14H2,(H,15,16);4H,2-3,6H2,1H3,(H,7,8)/t12-;4-/m00/s1
InChIKeyUABONJRNPXQJDW-GOYLBZKJSA-N
XLogP1.95
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 158339063
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
(2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
CID 119304331
bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin
CID 10531078
(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
(2S)-2-amino-4-methylsulfanylbutanoic acid;phenylmethanethiol
CID 87560055
CID 173070734
CID 173070734
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid?
The IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid (CID 161034514) is (2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid?
The canonical SMILES for (2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid is CSCC[C@H](N)C(=O)O.N[C@@H](Cc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid?
The InChIKey is UABONJRNPXQJDW-GOYLBZKJSA-N. The full InChI is InChI=1S/C13H13NO2.C5H11NO2S/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10;1-9-3-2-4(6)5(7)8/h1-7,12H,8,14H2,(H,15,16);4H,2-3,6H2,1H3,(H,7,8)/t12-;4-/m00/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid?
(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid has a molecular weight of 364.47 g/mol, XLogP of 1.95, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 161034514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).