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

C16H20N4O4 — CID 2534586

IUPAC[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H20N4O4/c1-10(2)7-8-17-16(23)18-13(21)9-24-15(22)14-11-5-3-4-6-12(11)19-20-14/h3-6,10H,7-9H2,1-2H3,(H,19,20)(H2,17,18,21,23)
InChIKeyZMTRIDNMYAAKIF-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.59
Rot. Bonds6

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

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2534586) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2534586
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H20N4O4/c1-10(2)7-8-17-16(23)18-13(21)9-24-15(22)14-11-5-3-4-6-12(11)19-20-14/h3-6,10H,7-9H2,1-2H3,(H,19,20)(H2,17,18,21,23)
InChIKeyZMTRIDNMYAAKIF-UHFFFAOYSA-N
XLogP1.59
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1H-indazole-3-carboxylate
CID 40665688
3-methylbutyl 1H-indazole-3-carboxylate
CID 46638341
[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2626910
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate
CID 2516996
[2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate
CID 16525548
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7956451
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7956597
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577808
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2627819
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 4792568
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2479149

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2534586) is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is CC(C)CCNC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is ZMTRIDNMYAAKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-10(2)7-8-17-16(23)18-13(21)9-24-15(22)14-11-5-3-4-6-12(11)19-20-14/h3-6,10H,7-9H2,1-2H3,(H,19,20)(H2,17,18,21,23).
What are the key properties of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2534586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).