benzotriazol-1-yl 2-(methylamino)acetate

C9H10N4O2 — CID 58945313

IUPACbenzotriazol-1-yl 2-(methylamino)acetate
SMILESCNCC(=O)On1nnc2ccccc21
InChIInChI=1S/C9H10N4O2/c1-10-6-9(14)15-13-8-5-3-2-4-7(8)11-12-13/h2-5,10H,6H2,1H3
InChIKeyJVEZCUYIIRQYLW-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.39
Rot. Bonds3

About benzotriazol-1-yl 2-(methylamino)acetate

benzotriazol-1-yl 2-(methylamino)acetate (PubChem CID 58945313) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is benzotriazol-1-yl 2-(methylamino)acetate.

Molecular Properties

Compound Namebenzotriazol-1-yl 2-(methylamino)acetate
PubChem CID58945313
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Namebenzotriazol-1-yl 2-(methylamino)acetate
SMILESCNCC(=O)On1nnc2ccccc21
InChIInChI=1S/C9H10N4O2/c1-10-6-9(14)15-13-8-5-3-2-4-7(8)11-12-13/h2-5,10H,6H2,1H3
InChIKeyJVEZCUYIIRQYLW-UHFFFAOYSA-N
XLogP-0.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}

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Related Compounds

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CID 11322253
benzotriazol-1-yl sulfanyl carbonate
CID 135280821
benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate
CID 10290998
bis(benzotriazol-1-yl) (2S)-2-benzylbutanedioate
CID 10718031
4-O-(benzotriazol-1-yl) 1-O-tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 162505361
benzotriazol-1-yl 3-methylbutyl carbonate
CID 91380083
benzotriazol-1-yl 1-methyl-4-(methylamino)pyrrole-2-carboxylate
CID 20700884
benzotriazol-1-yl N-ethyl-2-(methylamino)ethanimidate;1H-indazole-3-carboxylic acid;hexafluorophosphate
CID 158310417
benzotriazol-1-yl (2S)-2-(dibenzylamino)propanoate
CID 11417792
ethyl N-(benzotriazol-1-yl)carbamate
CID 71192391
methane;1-methoxybenzotriazole
CID 161160564
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CID 11114077

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl 2-(methylamino)acetate?
The IUPAC name of benzotriazol-1-yl 2-(methylamino)acetate (CID 58945313) is benzotriazol-1-yl 2-(methylamino)acetate.
What is the SMILES notation for benzotriazol-1-yl 2-(methylamino)acetate?
The canonical SMILES for benzotriazol-1-yl 2-(methylamino)acetate is CNCC(=O)On1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl 2-(methylamino)acetate?
The InChIKey is JVEZCUYIIRQYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-10-6-9(14)15-13-8-5-3-2-4-7(8)11-12-13/h2-5,10H,6H2,1H3.
What are the key properties of benzotriazol-1-yl 2-(methylamino)acetate?
benzotriazol-1-yl 2-(methylamino)acetate has a molecular weight of 206.20 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl 2-(methylamino)acetate is sourced from PubChem (CID 58945313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).