2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid

C8H16N2O4S — CID 91746310

IUPAC2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid
SMILESCC(N)C(=O)NC(CCS(C)=O)C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-5(9)7(11)10-6(8(12)13)3-4-15(2)14/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyQHFFJEANZFCRKI-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.33
Rot. Bonds6

About 2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid

2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid (PubChem CID 91746310) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid.

Molecular Properties

Compound Name2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid
PubChem CID91746310
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid
SMILESCC(N)C(=O)NC(CCS(C)=O)C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-5(9)7(11)10-6(8(12)13)3-4-15(2)14/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyQHFFJEANZFCRKI-UHFFFAOYSA-N
XLogP-1.33
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-acetyl-L-methionine
CID 448580
N-Acetyl-DL-methionine
CID 6180
L-Methionylglycine
CID 6992930
Methionylmethionine
CID 104294
N-acetyl-D-methionine
CID 6991987
S-(L-2-(Acetylamino)-2-carboxyethyl)-L-homocysteine
CID 152314
Glycylmethionine, DL-
CID 96757
Methionylglycine
CID 259185
Methionylalanine
CID 14878381
L-Valine, N-L-methionyl-, radical ion(1-)
CID 23274411
Zinc acetylmethionate
CID 24847734
Cobalt acetylmethionate
CID 56641298

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid?
The IUPAC name of 2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid (CID 91746310) is 2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid.
What is the SMILES notation for 2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid?
The canonical SMILES for 2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid is CC(N)C(=O)NC(CCS(C)=O)C(=O)O.
What is the InChIKey of 2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid?
The InChIKey is QHFFJEANZFCRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-5(9)7(11)10-6(8(12)13)3-4-15(2)14/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid?
2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid has a molecular weight of 236.29 g/mol, XLogP of -1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropanoylamino)-4-methylsulfinylbutanoic acid is sourced from PubChem (CID 91746310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).