2-[(2-methylsulfinylacetyl)amino]acetic acid

C5H9NO4S — CID 84656850

IUPAC2-[(2-methylsulfinylacetyl)amino]acetic acid
SMILESCS(=O)CC(=O)NCC(=O)O
InChIInChI=1S/C5H9NO4S/c1-11(10)3-4(7)6-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyJMQHWWHMTNNIKJ-UHFFFAOYSA-N
MW179.20 g/mol
LogP-1.43
Rot. Bonds4

About 2-[(2-methylsulfinylacetyl)amino]acetic acid

2-[(2-methylsulfinylacetyl)amino]acetic acid (PubChem CID 84656850) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-[(2-methylsulfinylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylsulfinylacetyl)amino]acetic acid
PubChem CID84656850
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name2-[(2-methylsulfinylacetyl)amino]acetic acid
SMILESCS(=O)CC(=O)NCC(=O)O
InChIInChI=1S/C5H9NO4S/c1-11(10)3-4(7)6-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyJMQHWWHMTNNIKJ-UHFFFAOYSA-N
XLogP-1.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(hydroxyamino)acetyl]amino]acetic acid
CID 118448410
2-(3-deuteriopropanoylamino)acetic acid
CID 170555172
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87757746
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-[(2-aminoacetyl)amino]acetic acid;iron
CID 88519738
2-[[2-(diacetylamino)acetyl]amino]acetic acid
CID 87300850
2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
CID 139446842
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid
CID 131726212
2-[[12-(methylamino)-12-oxododecanoyl]amino]acetic acid
CID 163272447
2-[(3-ethoxy-3-oxopropanoyl)amino]acetic acid
CID 45482769

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfinylacetyl)amino]acetic acid?
The IUPAC name of 2-[(2-methylsulfinylacetyl)amino]acetic acid (CID 84656850) is 2-[(2-methylsulfinylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylsulfinylacetyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylsulfinylacetyl)amino]acetic acid is CS(=O)CC(=O)NCC(=O)O.
What is the InChIKey of 2-[(2-methylsulfinylacetyl)amino]acetic acid?
The InChIKey is JMQHWWHMTNNIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S/c1-11(10)3-4(7)6-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9).
What are the key properties of 2-[(2-methylsulfinylacetyl)amino]acetic acid?
2-[(2-methylsulfinylacetyl)amino]acetic acid has a molecular weight of 179.20 g/mol, XLogP of -1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfinylacetyl)amino]acetic acid is sourced from PubChem (CID 84656850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).