2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid

C7H10N2O3S — CID 106924884

IUPAC2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid
SMILESCC(N)(CSc1ncco1)C(=O)O
InChIInChI=1S/C7H10N2O3S/c1-7(8,5(10)11)4-13-6-9-2-3-12-6/h2-3H,4,8H2,1H3,(H,10,11)
InChIKeyHSDMCPFEXXSTHT-UHFFFAOYSA-N
MW202.24 g/mol
LogP0.57
Rot. Bonds4

About 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid

2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid (PubChem CID 106924884) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid
PubChem CID106924884
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Name2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid
SMILESCC(N)(CSc1ncco1)C(=O)O
InChIInChI=1S/C7H10N2O3S/c1-7(8,5(10)11)4-13-6-9-2-3-12-6/h2-3H,4,8H2,1H3,(H,10,11)
InChIKeyHSDMCPFEXXSTHT-UHFFFAOYSA-N
XLogP0.57
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid?
The IUPAC name of 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid (CID 106924884) is 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid.
What is the SMILES notation for 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid?
The canonical SMILES for 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid is CC(N)(CSc1ncco1)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid?
The InChIKey is HSDMCPFEXXSTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-7(8,5(10)11)4-13-6-9-2-3-12-6/h2-3H,4,8H2,1H3,(H,10,11).
What are the key properties of 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid?
2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid has a molecular weight of 202.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid is sourced from PubChem (CID 106924884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).