2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid

C10H20N2O4S — CID 91746311

IUPAC2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid
SMILESCC(C)C(N)C(=O)NC(CCS(C)=O)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-17(3)16/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyIWVIMZWOKNCJOY-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.69
Rot. Bonds7

About 2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid

2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid (PubChem CID 91746311) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid.

Molecular Properties

Compound Name2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid
PubChem CID91746311
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid
SMILESCC(C)C(N)C(=O)NC(CCS(C)=O)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-17(3)16/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyIWVIMZWOKNCJOY-UHFFFAOYSA-N
XLogP-0.69
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid?
The IUPAC name of 2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid (CID 91746311) is 2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid.
What is the SMILES notation for 2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid?
The canonical SMILES for 2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid is CC(C)C(N)C(=O)NC(CCS(C)=O)C(=O)O.
What is the InChIKey of 2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid?
The InChIKey is IWVIMZWOKNCJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-17(3)16/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid?
2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methylbutanoyl)amino]-4-methylsulfinylbutanoic acid is sourced from PubChem (CID 91746311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).