(2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid

C10H18N2O5S — CID 22800645

IUPAC(2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid
SMILESCSCC[C@H](N)C(=O)O.O=C(O)N1CCCC1=O
InChIInChI=1S/C5H7NO3.C5H11NO2S/c7-4-2-1-3-6(4)5(8)9;1-9-3-2-4(6)5(7)8/h1-3H2,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)/t;4-/m.0/s1
InChIKeyBDTXXHOYBPKDIN-VWMHFEHESA-N
MW278.33 g/mol
LogP0.44
Rot. Bonds4

About (2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid

(2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid (PubChem CID 22800645) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid
PubChem CID22800645
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name(2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid
SMILESCSCC[C@H](N)C(=O)O.O=C(O)N1CCCC1=O
InChIInChI=1S/C5H7NO3.C5H11NO2S/c7-4-2-1-3-6(4)5(8)9;1-9-3-2-4(6)5(7)8/h1-3H2,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)/t;4-/m.0/s1
InChIKeyBDTXXHOYBPKDIN-VWMHFEHESA-N
XLogP0.44
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid (CID 22800645) is (2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid is CSCC[C@H](N)C(=O)O.O=C(O)N1CCCC1=O.
What is the InChIKey of (2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid?
The InChIKey is BDTXXHOYBPKDIN-VWMHFEHESA-N. The full InChI is InChI=1S/C5H7NO3.C5H11NO2S/c7-4-2-1-3-6(4)5(8)9;1-9-3-2-4(6)5(7)8/h1-3H2,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)/t;4-/m.0/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid?
(2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxopyrrolidine-1-carboxylic acid is sourced from PubChem (CID 22800645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).