[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate

C14H17N3O3 — CID 2534563

IUPAC[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC(C)(C)NC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-14(2,3)15-11(18)8-20-13(19)12-9-6-4-5-7-10(9)16-17-12/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyQWWDQGHHSKSJSN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.63
Rot. Bonds3

About [2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2534563) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2534563
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC(C)(C)NC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-14(2,3)15-11(18)8-20-13(19)12-9-6-4-5-7-10(9)16-17-12/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyQWWDQGHHSKSJSN-UHFFFAOYSA-N
XLogP1.63
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2534563) is [2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is CC(C)(C)NC(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is QWWDQGHHSKSJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2,3)15-11(18)8-20-13(19)12-9-6-4-5-7-10(9)16-17-12/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2534563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).