2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid

C11H18N4O2 — CID 116735154

IUPAC2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid
SMILESNC(Cc1cn(C2CCCCC2)nn1)C(=O)O
InChIInChI=1S/C11H18N4O2/c12-10(11(16)17)6-8-7-15(14-13-8)9-4-2-1-3-5-9/h7,9-10H,1-6,12H2,(H,16,17)
InChIKeyRDKHJJPBHTYKDU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.74
Rot. Bonds4

About 2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid

2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid (PubChem CID 116735154) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid
PubChem CID116735154
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid
SMILESNC(Cc1cn(C2CCCCC2)nn1)C(=O)O
InChIInChI=1S/C11H18N4O2/c12-10(11(16)17)6-8-7-15(14-13-8)9-4-2-1-3-5-9/h7,9-10H,1-6,12H2,(H,16,17)
InChIKeyRDKHJJPBHTYKDU-UHFFFAOYSA-N
XLogP0.74
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid (CID 116735154) is 2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid is NC(Cc1cn(C2CCCCC2)nn1)C(=O)O.
What is the InChIKey of 2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid?
The InChIKey is RDKHJJPBHTYKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-10(11(16)17)6-8-7-15(14-13-8)9-4-2-1-3-5-9/h7,9-10H,1-6,12H2,(H,16,17).
What are the key properties of 2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid?
2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid is sourced from PubChem (CID 116735154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).