2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid

C7H13NO3S — CID 79326790

IUPAC2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid
SMILESCC(N)(CSC1COC1)C(=O)O
InChIInChI=1S/C7H13NO3S/c1-7(8,6(9)10)4-12-5-2-11-3-5/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyODZJXURNDRQGKI-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.08
Rot. Bonds4

About 2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid

2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid (PubChem CID 79326790) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid
PubChem CID79326790
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid
SMILESCC(N)(CSC1COC1)C(=O)O
InChIInChI=1S/C7H13NO3S/c1-7(8,6(9)10)4-12-5-2-11-3-5/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyODZJXURNDRQGKI-UHFFFAOYSA-N
XLogP-0.08
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid?
The IUPAC name of 2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid (CID 79326790) is 2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid.
What is the SMILES notation for 2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid?
The canonical SMILES for 2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid is CC(N)(CSC1COC1)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid?
The InChIKey is ODZJXURNDRQGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-7(8,6(9)10)4-12-5-2-11-3-5/h5H,2-4,8H2,1H3,(H,9,10).
What are the key properties of 2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid?
2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid has a molecular weight of 191.25 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-(oxetan-3-ylsulfanyl)propanoic acid is sourced from PubChem (CID 79326790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).