(2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid

C10H19N3O4S — CID 22857523

IUPAC(2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid
SMILESCSCC[C@H](N)C(N)=O.O=C1CCC(C(=O)O)N1
InChIInChI=1S/C5H12N2OS.C5H7NO3/c1-9-3-2-4(6)5(7)8;7-4-2-1-3(6-4)5(8)9/h4H,2-3,6H2,1H3,(H2,7,8);3H,1-2H2,(H,6,7)(H,8,9)/t4-;/m0./s1
InChIKeyVKWVNJHIPREDGT-WCCKRBBISA-N
MW277.35 g/mol
LogP-1.10
Rot. Bonds5

About (2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid

(2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid (PubChem CID 22857523) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid
PubChem CID22857523
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name(2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid
SMILESCSCC[C@H](N)C(N)=O.O=C1CCC(C(=O)O)N1
InChIInChI=1S/C5H12N2OS.C5H7NO3/c1-9-3-2-4(6)5(7)8;7-4-2-1-3(6-4)5(8)9/h4H,2-3,6H2,1H3,(H2,7,8);3H,1-2H2,(H,6,7)(H,8,9)/t4-;/m0./s1
InChIKeyVKWVNJHIPREDGT-WCCKRBBISA-N
XLogP-1.10
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

carbamic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
CID 158032480
(2S)-2-amino-4-methylsulfanylbutanamide;cobalt
CID 174423954
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276
5-oxopyrrolidine-2-carboxylic acid;dihydrate
CID 175519070
chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 170846266
iron;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 90659612
(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid
CID 86566726
(2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid
CID 141203055
(2S)-2-amino-4-methylsulfanylbutanoic acid;piperazine-2,3-dione
CID 67023954
(2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide
CID 106187684
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid (CID 22857523) is (2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid is CSCC[C@H](N)C(N)=O.O=C1CCC(C(=O)O)N1.
What is the InChIKey of (2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is VKWVNJHIPREDGT-WCCKRBBISA-N. The full InChI is InChI=1S/C5H12N2OS.C5H7NO3/c1-9-3-2-4(6)5(7)8;7-4-2-1-3(6-4)5(8)9/h4H,2-3,6H2,1H3,(H2,7,8);3H,1-2H2,(H,6,7)(H,8,9)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid?
(2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of -1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22857523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).