2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid

C10H15N5O3 — CID 115458679

IUPAC2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)NC2CCC2)nn1
InChIInChI=1S/C10H15N5O3/c16-9(17)6-15-5-8(13-14-15)4-11-10(18)12-7-2-1-3-7/h5,7H,1-4,6H2,(H,16,17)(H2,11,12,18)
InChIKeyTZZPBLRRHYSWNN-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.29
Rot. Bonds5

About 2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid

2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid (PubChem CID 115458679) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid
PubChem CID115458679
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)NC2CCC2)nn1
InChIInChI=1S/C10H15N5O3/c16-9(17)6-15-5-8(13-14-15)4-11-10(18)12-7-2-1-3-7/h5,7H,1-4,6H2,(H,16,17)(H2,11,12,18)
InChIKeyTZZPBLRRHYSWNN-UHFFFAOYSA-N
XLogP-0.29
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458744
2-[4-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458576
2-[4-[(oxan-4-ylmethylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458715
2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698978
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-[(3-cyclohexylbutanoylamino)methyl]triazol-1-yl]acetic acid
CID 120698743
2-[4-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458743
2-[4-[(oxane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 113313868
2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113314016

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid (CID 115458679) is 2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(CNC(=O)NC2CCC2)nn1.
What is the InChIKey of 2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid?
The InChIKey is TZZPBLRRHYSWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c16-9(17)6-15-5-8(13-14-15)4-11-10(18)12-7-2-1-3-7/h5,7H,1-4,6H2,(H,16,17)(H2,11,12,18).
What are the key properties of 2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid?
2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115458679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).