3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid

C10H13ClN4O3 — CID 62857798

IUPAC3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid
SMILESCOc1nc(Cl)nc(N(CCC(=O)O)C2CC2)n1
InChIInChI=1S/C10H13ClN4O3/c1-18-10-13-8(11)12-9(14-10)15(6-2-3-6)5-4-7(16)17/h6H,2-5H2,1H3,(H,16,17)
InChIKeyCIWOFUDTUCBTHV-UHFFFAOYSA-N
MW272.69 g/mol
LogP0.98
Rot. Bonds6

About 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid

3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid (PubChem CID 62857798) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid
PubChem CID62857798
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid
SMILESCOc1nc(Cl)nc(N(CCC(=O)O)C2CC2)n1
InChIInChI=1S/C10H13ClN4O3/c1-18-10-13-8(11)12-9(14-10)15(6-2-3-6)5-4-7(16)17/h6H,2-5H2,1H3,(H,16,17)
InChIKeyCIWOFUDTUCBTHV-UHFFFAOYSA-N
XLogP0.98
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid (CID 62857798) is 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid is COc1nc(Cl)nc(N(CCC(=O)O)C2CC2)n1.
What is the InChIKey of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid?
The InChIKey is CIWOFUDTUCBTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c1-18-10-13-8(11)12-9(14-10)15(6-2-3-6)5-4-7(16)17/h6H,2-5H2,1H3,(H,16,17).
What are the key properties of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid?
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid has a molecular weight of 272.69 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 62857798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).