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

C6H8N4O2 — CID 68606798

IUPAC3-amino-2-(1,3,5-triazin-2-yl)propanoic acid
SMILESNCC(C(=O)O)c1ncncn1
InChIInChI=1S/C6H8N4O2/c7-1-4(6(11)12)5-9-2-8-3-10-5/h2-4H,1,7H2,(H,11,12)
InChIKeyJEKCLCDGZQJREK-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.00
Rot. Bonds3

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

3-amino-2-(1,3,5-triazin-2-yl)propanoic acid (PubChem CID 68606798) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 3-amino-2-(1,3,5-triazin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(1,3,5-triazin-2-yl)propanoic acid
PubChem CID68606798
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name3-amino-2-(1,3,5-triazin-2-yl)propanoic acid
SMILESNCC(C(=O)O)c1ncncn1
InChIInChI=1S/C6H8N4O2/c7-1-4(6(11)12)5-9-2-8-3-10-5/h2-4H,1,7H2,(H,11,12)
InChIKeyJEKCLCDGZQJREK-UHFFFAOYSA-N
XLogP-1.00
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1,3,5-triazin-2-yl)propanoic acid?
The IUPAC name of 3-amino-2-(1,3,5-triazin-2-yl)propanoic acid (CID 68606798) is 3-amino-2-(1,3,5-triazin-2-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(1,3,5-triazin-2-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(1,3,5-triazin-2-yl)propanoic acid is NCC(C(=O)O)c1ncncn1.
What is the InChIKey of 3-amino-2-(1,3,5-triazin-2-yl)propanoic acid?
The InChIKey is JEKCLCDGZQJREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-1-4(6(11)12)5-9-2-8-3-10-5/h2-4H,1,7H2,(H,11,12).
What are the key properties of 3-amino-2-(1,3,5-triazin-2-yl)propanoic acid?
3-amino-2-(1,3,5-triazin-2-yl)propanoic acid has a molecular weight of 168.16 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1,3,5-triazin-2-yl)propanoic acid is sourced from PubChem (CID 68606798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).