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

C7H10N2O3S — CID 106920817

IUPAC2-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid
SMILESCC1=COC(=N1)SCC(C(=O)O)N
InChIInChI=1S/C7H10N2O3S/c1-4-2-12-7(9-4)13-3-5(8)6(10)11/h2,5H,3,8H2,1H3,(H,10,11)
InChIKeyFRKWSPWBPMEERV-UHFFFAOYSA-N
MW202.23 g/mol
LogP-2.00
Rot. Bonds4

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

2-Amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid (PubChem CID 106920817) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-Amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid
PubChem CID106920817
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid
SMILESCC1=COC(=N1)SCC(C(=O)O)N
InChIInChI=1S/C7H10N2O3S/c1-4-2-12-7(9-4)13-3-5(8)6(10)11/h2,5H,3,8H2,1H3,(H,10,11)
InChIKeyFRKWSPWBPMEERV-UHFFFAOYSA-N
XLogP-2.00
TPSA115.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity191

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 106922139
CID 106922139
CID 106923846
CID 106923846
CID 106923871
CID 106923871
CID 106926147
CID 106926147
CID 165439254
CID 165439254
CID 165462279
CID 165462279
CID 14450454
CID 14450454
CID 84650801
CID 84650801

Frequently Asked Questions

What is the IUPAC name of 2-Amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid?
The IUPAC name of 2-Amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid (CID 106920817) is 2-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid.
What is the SMILES notation for 2-Amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid?
The canonical SMILES for 2-Amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid is CC1=COC(=N1)SCC(C(=O)O)N.
What is the InChIKey of 2-Amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid?
The InChIKey is FRKWSPWBPMEERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-4-2-12-7(9-4)13-3-5(8)6(10)11/h2,5H,3,8H2,1H3,(H,10,11).
What are the key properties of 2-Amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid?
2-Amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid has a molecular weight of 202.23 g/mol, XLogP of -2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 106920817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).