2-amino-3-(1,2-thiazol-5-yl)propanoic acid

C6H8N2O2S — CID 55267631

IUPAC2-amino-3-(1,2-thiazol-5-yl)propanoic acid
SMILESNC(Cc1ccns1)C(=O)O
InChIInChI=1S/C6H8N2O2S/c7-5(6(9)10)3-4-1-2-8-11-4/h1-2,5H,3,7H2,(H,9,10)
InChIKeyUEJKLDVZWINHLZ-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.10
Rot. Bonds3

About 2-amino-3-(1,2-thiazol-5-yl)propanoic acid

2-amino-3-(1,2-thiazol-5-yl)propanoic acid (PubChem CID 55267631) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-amino-3-(1,2-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,2-thiazol-5-yl)propanoic acid
PubChem CID55267631
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-amino-3-(1,2-thiazol-5-yl)propanoic acid
SMILESNC(Cc1ccns1)C(=O)O
InChIInChI=1S/C6H8N2O2S/c7-5(6(9)10)3-4-1-2-8-11-4/h1-2,5H,3,7H2,(H,9,10)
InChIKeyUEJKLDVZWINHLZ-UHFFFAOYSA-N
XLogP0.10
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,2-thiazol-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1,2-thiazol-5-yl)propanoic acid (CID 55267631) is 2-amino-3-(1,2-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,2-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,2-thiazol-5-yl)propanoic acid is NC(Cc1ccns1)C(=O)O.
What is the InChIKey of 2-amino-3-(1,2-thiazol-5-yl)propanoic acid?
The InChIKey is UEJKLDVZWINHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-5(6(9)10)3-4-1-2-8-11-4/h1-2,5H,3,7H2,(H,9,10).
What are the key properties of 2-amino-3-(1,2-thiazol-5-yl)propanoic acid?
2-amino-3-(1,2-thiazol-5-yl)propanoic acid has a molecular weight of 172.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,2-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 55267631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).