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

C6H9N3O2S — CID 18424118

IUPAC2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid
SMILESNc1ncc(CC(N)C(=O)O)s1
InChIInChI=1S/C6H9N3O2S/c7-4(5(10)11)1-3-2-9-6(8)12-3/h2,4H,1,7H2,(H2,8,9)(H,10,11)
InChIKeyJWSMSIYSQSQKBD-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.32
Rot. Bonds3

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

2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid (PubChem CID 18424118) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid
PubChem CID18424118
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid
SMILESNc1ncc(CC(N)C(=O)O)s1
InChIInChI=1S/C6H9N3O2S/c7-4(5(10)11)1-3-2-9-6(8)12-3/h2,4H,1,7H2,(H2,8,9)(H,10,11)
InChIKeyJWSMSIYSQSQKBD-UHFFFAOYSA-N
XLogP-0.32
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid (CID 18424118) is 2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid is Nc1ncc(CC(N)C(=O)O)s1.
What is the InChIKey of 2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is JWSMSIYSQSQKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-4(5(10)11)1-3-2-9-6(8)12-3/h2,4H,1,7H2,(H2,8,9)(H,10,11).
What are the key properties of 2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid?
2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 187.22 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 18424118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).