3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid

C10H10N4O4 — CID 112576777

IUPAC3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid
SMILESNC(=O)OCCn1nnc2cccc(C(=O)O)c21
InChIInChI=1S/C10H10N4O4/c11-10(17)18-5-4-14-8-6(9(15)16)2-1-3-7(8)12-13-14/h1-3H,4-5H2,(H2,11,17)(H,15,16)
InChIKeyYHNRZJGWDARANM-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.22
Rot. Bonds4

About 3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid

3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid (PubChem CID 112576777) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid
PubChem CID112576777
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid
SMILESNC(=O)OCCn1nnc2cccc(C(=O)O)c21
InChIInChI=1S/C10H10N4O4/c11-10(17)18-5-4-14-8-6(9(15)16)2-1-3-7(8)12-13-14/h1-3H,4-5H2,(H2,11,17)(H,15,16)
InChIKeyYHNRZJGWDARANM-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

3-propylbenzotriazole-4-carboxylic acid
CID 112576582
1-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid
CID 83203251
3-(3-methylsulfanylpropyl)benzotriazole-4-carboxylic acid
CID 112576726
3-(2-piperidin-1-ylethyl)benzotriazole-4-carboxylic acid
CID 115931921
3-[2-(2-methylphenyl)ethyl]benzotriazole-4-carboxylic acid
CID 115932035
3-[3-(diethylamino)propyl]benzotriazole-4-carboxylic acid
CID 115931841
3-[2-(2-methylpyrazol-3-yl)ethyl]benzotriazole-4-carboxylic acid
CID 103007353
3-[(2-ethylphenyl)methyl]benzotriazole-4-carboxylic acid
CID 115932004
3-(2,2,3,3-tetrafluoropropyl)benzotriazole-4-carboxylic acid
CID 106293446
3-[2-(tert-butylamino)-2-oxoethyl]benzotriazole-4-carboxylic acid
CID 115932056
3-[3-(dimethylamino)-2,2-dimethylpropyl]benzotriazole-4-carboxylic acid
CID 115931807
3-[2-(methanesulfonamido)-2-methylpropyl]benzotriazole-4-carboxylic acid
CID 115931991

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid?
The IUPAC name of 3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid (CID 112576777) is 3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid?
The canonical SMILES for 3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid is NC(=O)OCCn1nnc2cccc(C(=O)O)c21.
What is the InChIKey of 3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid?
The InChIKey is YHNRZJGWDARANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c11-10(17)18-5-4-14-8-6(9(15)16)2-1-3-7(8)12-13-14/h1-3H,4-5H2,(H2,11,17)(H,15,16).
What are the key properties of 3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid?
3-(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 3-(2-carbamoyloxyethyl)benzotriazole-4-carboxylic acid is sourced from PubChem (CID 112576777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).