[2-(2-aminoacetyl)hydrazinyl] benzoate

C9H11N3O3 — CID 129196534

IUPAC[2-(2-aminoacetyl)hydrazinyl] benzoate
SMILESNCC(=O)NNOC(=O)c1ccccc1
InChIInChI=1S/C9H11N3O3/c10-6-8(13)11-12-15-9(14)7-4-2-1-3-5-7/h1-5,12H,6,10H2,(H,11,13)
InChIKeyHRQKSCZVUQKARP-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.66
Rot. Bonds4

About [2-(2-aminoacetyl)hydrazinyl] benzoate

[2-(2-aminoacetyl)hydrazinyl] benzoate (PubChem CID 129196534) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is [2-(2-aminoacetyl)hydrazinyl] benzoate.

Molecular Properties

Compound Name[2-(2-aminoacetyl)hydrazinyl] benzoate
PubChem CID129196534
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name[2-(2-aminoacetyl)hydrazinyl] benzoate
SMILESNCC(=O)NNOC(=O)c1ccccc1
InChIInChI=1S/C9H11N3O3/c10-6-8(13)11-12-15-9(14)7-4-2-1-3-5-7/h1-5,12H,6,10H2,(H,11,13)
InChIKeyHRQKSCZVUQKARP-UHFFFAOYSA-N
XLogP-0.66
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(sulfanylcarbamoyl)hydrazinyl] benzoate
CID 91333504
[[8-(benzoyloxyamino)-8-oxooctanoyl]amino] benzoate
CID 569846
benzyl benzoate
CID 2345
3-aminoprop-1-ynyl benzoate
CID 90271975
2-amino-N-(benzenecarboximidoyl)acetamide
CID 140551461
methyl 3-(benzoyloxymethyl)bicyclo[1.1.0]butane-1-carboxylate
CID 12031311
(1-ethoxyethenylamino) benzoate
CID 123459166
[[(2S)-2-amino-3-hydroxypropanoyl]amino] benzoate
CID 86740598
[(2-methoxy-2-oxoacetyl)amino] benzoate
CID 152508358
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068
(1,1,2,2,2-pentafluoroethoxycarbonylamino) benzoate
CID 154510965
potassium hydroxymethyl benzoate
CID 22993318

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoacetyl)hydrazinyl] benzoate?
The IUPAC name of [2-(2-aminoacetyl)hydrazinyl] benzoate (CID 129196534) is [2-(2-aminoacetyl)hydrazinyl] benzoate.
What is the SMILES notation for [2-(2-aminoacetyl)hydrazinyl] benzoate?
The canonical SMILES for [2-(2-aminoacetyl)hydrazinyl] benzoate is NCC(=O)NNOC(=O)c1ccccc1.
What is the InChIKey of [2-(2-aminoacetyl)hydrazinyl] benzoate?
The InChIKey is HRQKSCZVUQKARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-6-8(13)11-12-15-9(14)7-4-2-1-3-5-7/h1-5,12H,6,10H2,(H,11,13).
What are the key properties of [2-(2-aminoacetyl)hydrazinyl] benzoate?
[2-(2-aminoacetyl)hydrazinyl] benzoate has a molecular weight of 209.21 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoacetyl)hydrazinyl] benzoate is sourced from PubChem (CID 129196534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).