1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid

C10H10N4O4 — CID 83203251

IUPAC1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid
SMILESNC(=O)OCCn1nnc2c(C(=O)O)cccc21
InChIInChI=1S/C10H10N4O4/c11-10(17)18-5-4-14-7-3-1-2-6(9(15)16)8(7)12-13-14/h1-3H,4-5H2,(H2,11,17)(H,15,16)
InChIKeyBCRYONCIXHRSEJ-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.22
Rot. Bonds4

About 1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid

1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid (PubChem CID 83203251) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid
PubChem CID83203251
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid
SMILESNC(=O)OCCn1nnc2c(C(=O)O)cccc21
InChIInChI=1S/C10H10N4O4/c11-10(17)18-5-4-14-7-3-1-2-6(9(15)16)8(7)12-13-14/h1-3H,4-5H2,(H2,11,17)(H,15,16)
InChIKeyBCRYONCIXHRSEJ-UHFFFAOYSA-N
XLogP0.22
TPSA120.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxy-3-oxopropyl)benzotriazole-4-carboxylic acid
CID 113331954
3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid
CID 112576777
1-[2-(dimethylsulfamoyl)ethyl]benzotriazole-4-carboxylic acid
CID 106337038
1-[2-[ethyl(methyl)amino]ethyl]benzotriazole-4-carboxylic acid
CID 115541869
1-[2-(1-methylpyrazol-3-yl)ethyl]benzotriazole-4-carboxylic acid
CID 106105286
1-(2-methyl-2-methylsulfonylpropyl)benzotriazole-4-carboxylic acid
CID 115541966
1-chlorobenzotriazole-4-carboxylic acid
CID 19818323
1-hydroxybenzotriazole-4-carboxylic acid
CID 22610969
1-[(1-methylpyrrolidin-3-yl)methyl]benzotriazole-4-carboxylic acid
CID 113331949
1-[(1-methylimidazol-2-yl)methyl]benzotriazole-4-carboxylic acid
CID 115541896
1-[(2-methoxyphenyl)methyl]benzotriazole-4-carboxylic acid
CID 115541602
1-[(3-fluorophenyl)methyl]benzotriazole-4-carboxylic acid
CID 115541625

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid?
The IUPAC name of 1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid (CID 83203251) is 1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid?
The canonical SMILES for 1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid is NC(=O)OCCn1nnc2c(C(=O)O)cccc21.
What is the InChIKey of 1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid?
The InChIKey is BCRYONCIXHRSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c11-10(17)18-5-4-14-7-3-1-2-6(9(15)16)8(7)12-13-14/h1-3H,4-5H2,(H2,11,17)(H,15,16).
What are the key properties of 1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid?
1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid is sourced from PubChem (CID 83203251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).