2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid

C13H19N5O3 — CID 115458744

IUPAC2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)NC2CC3CCC2C3)nn1
InChIInChI=1S/C13H19N5O3/c19-12(20)7-18-6-10(16-17-18)5-14-13(21)15-11-4-8-1-2-9(11)3-8/h6,8-9,11H,1-5,7H2,(H,19,20)(H2,14,15,21)
InChIKeyOTRGTPYUHJBRLL-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.35
Rot. Bonds5

About 2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid

2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid (PubChem CID 115458744) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid
PubChem CID115458744
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)NC2CC3CCC2C3)nn1
InChIInChI=1S/C13H19N5O3/c19-12(20)7-18-6-10(16-17-18)5-14-13(21)15-11-4-8-1-2-9(11)3-8/h6,8-9,11H,1-5,7H2,(H,19,20)(H2,14,15,21)
InChIKeyOTRGTPYUHJBRLL-UHFFFAOYSA-N
XLogP0.35
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115457463
2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458679
2-[4-[(cycloheptylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458494
2-[4-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 106191620
2-[4-[(oxan-4-ylmethylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458715
2-[4-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458576
2-[4-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458743
2-[4-[(but-3-enylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 113465860
2-[4-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 106216398
2-[4-[[2-(oxolan-2-yl)ethylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458644
2-[4-[[(1-aminocyclohexanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458075
2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115458165

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid (CID 115458744) is 2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(CNC(=O)NC2CC3CCC2C3)nn1.
What is the InChIKey of 2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid?
The InChIKey is OTRGTPYUHJBRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c19-12(20)7-18-6-10(16-17-18)5-14-13(21)15-11-4-8-1-2-9(11)3-8/h6,8-9,11H,1-5,7H2,(H,19,20)(H2,14,15,21).
What are the key properties of 2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid?
2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid has a molecular weight of 293.33 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115458744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).