2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid

C8H12N2O3S — CID 106925128

IUPAC2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid
SMILESCc1coc(SCC(C)(N)C(=O)O)n1
InChIInChI=1S/C8H12N2O3S/c1-5-3-13-7(10-5)14-4-8(2,9)6(11)12/h3H,4,9H2,1-2H3,(H,11,12)
InChIKeyZGCSQMDPELDUPE-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.88
Rot. Bonds4

About 2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid

2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid (PubChem CID 106925128) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid
PubChem CID106925128
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid
SMILESCc1coc(SCC(C)(N)C(=O)O)n1
InChIInChI=1S/C8H12N2O3S/c1-5-3-13-7(10-5)14-4-8(2,9)6(11)12/h3H,4,9H2,1-2H3,(H,11,12)
InChIKeyZGCSQMDPELDUPE-UHFFFAOYSA-N
XLogP0.88
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid
CID 106924884
2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 106925188
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)hexanoic acid
CID 106925284
3,3-dimethyl-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927786
methyl 2-(methylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106925140
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
CID 106920818
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837
2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106925112
2-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]but-2-enoic acid
CID 106920850
2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
CID 106925200
2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 106926255
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 106920797

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid?
The IUPAC name of 2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid (CID 106925128) is 2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid.
What is the SMILES notation for 2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid?
The canonical SMILES for 2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid is Cc1coc(SCC(C)(N)C(=O)O)n1.
What is the InChIKey of 2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid?
The InChIKey is ZGCSQMDPELDUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-5-3-13-7(10-5)14-4-8(2,9)6(11)12/h3H,4,9H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid?
2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid has a molecular weight of 216.26 g/mol, XLogP of 0.88, 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-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 106925128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).