(2-amino-2-oxoethyl) 1H-indazole-3-carboxylate

C10H9N3O3 — CID 2636801

IUPAC(2-amino-2-oxoethyl) 1H-indazole-3-carboxylate
SMILESNC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C10H9N3O3/c11-8(14)5-16-10(15)9-6-3-1-2-4-7(6)12-13-9/h1-4H,5H2,(H2,11,14)(H,12,13)
InChIKeyGZQPUHDLLSVXKH-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.20
Rot. Bonds3

About (2-amino-2-oxoethyl) 1H-indazole-3-carboxylate

(2-amino-2-oxoethyl) 1H-indazole-3-carboxylate (PubChem CID 2636801) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 1H-indazole-3-carboxylate
PubChem CID2636801
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name(2-amino-2-oxoethyl) 1H-indazole-3-carboxylate
SMILESNC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C10H9N3O3/c11-8(14)5-16-10(15)9-6-3-1-2-4-7(6)12-13-9/h1-4H,5H2,(H2,11,14)(H,12,13)
InChIKeyGZQPUHDLLSVXKH-UHFFFAOYSA-N
XLogP0.20
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Indazole-3-carboxylic acid
CID 78250
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
methyl 1H-indazole-3-carboxylate
CID 657476
1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl ester
CID 138628
(1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1H-indazole-3-carboxylate
CID 11508052
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2085783
2-phenoxyethyl 1H-indazole-3-carboxylate
CID 2088069
[2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2096530
[2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate
CID 2117945
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2425270
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 42601208
methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
CID 2060300

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 1H-indazole-3-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 1H-indazole-3-carboxylate (CID 2636801) is (2-amino-2-oxoethyl) 1H-indazole-3-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 1H-indazole-3-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 1H-indazole-3-carboxylate is NC(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of (2-amino-2-oxoethyl) 1H-indazole-3-carboxylate?
The InChIKey is GZQPUHDLLSVXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-8(14)5-16-10(15)9-6-3-1-2-4-7(6)12-13-9/h1-4H,5H2,(H2,11,14)(H,12,13).
What are the key properties of (2-amino-2-oxoethyl) 1H-indazole-3-carboxylate?
(2-amino-2-oxoethyl) 1H-indazole-3-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 1H-indazole-3-carboxylate is sourced from PubChem (CID 2636801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).