ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate

C11H11N3O3 — CID 110471105

IUPACethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C11H11N3O3/c1-2-17-11(16)10(15)13-8-5-3-4-7-6-12-14-9(7)8/h3-6H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyPUAKDWVFQHDAIZ-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.06
Rot. Bonds2

About ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate

ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate (PubChem CID 110471105) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate
PubChem CID110471105
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Nameethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C11H11N3O3/c1-2-17-11(16)10(15)13-8-5-3-4-7-6-12-14-9(7)8/h3-6H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyPUAKDWVFQHDAIZ-UHFFFAOYSA-N
XLogP1.06
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indazol-7-yl)butanamide
CID 36575526
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
2-amino-N-(1H-indazol-7-yl)-3-methoxypropanamide
CID 81082479
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate
CID 117313880
4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide
CID 34149775
(2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide
CID 79012424
trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide
CID 34148096
2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide
CID 55081109
ethyl 2,4-bis(1H-indazol-7-ylamino)pyrimidine-5-carboxylate
CID 22060714
4-hydroxy-N-(1H-indazol-7-yl)pentanamide
CID 79200987
N-(1H-indazol-7-yl)-5-methoxypentanamide
CID 86871615

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate?
The IUPAC name of ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate (CID 110471105) is ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate is CCOC(=O)C(=O)Nc1cccc2cn[nH]c12.
What is the InChIKey of ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate?
The InChIKey is PUAKDWVFQHDAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-2-17-11(16)10(15)13-8-5-3-4-7-6-12-14-9(7)8/h3-6H,2H2,1H3,(H,12,14)(H,13,15).
What are the key properties of ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate?
ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate has a molecular weight of 233.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate is sourced from PubChem (CID 110471105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).