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

C11H10N4O4 — CID 2626910

IUPAC[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESNC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C11H10N4O4/c12-11(18)13-8(16)5-19-10(17)9-6-3-1-2-4-7(6)14-15-9/h1-4H,5H2,(H,14,15)(H3,12,13,16,18)
InChIKeyQIKSBLARRCIVSP-UHFFFAOYSA-N
MW262.23 g/mol
LogP-0.09
Rot. Bonds3

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

[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2626910) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2626910
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESNC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C11H10N4O4/c12-11(18)13-8(16)5-19-10(17)9-6-3-1-2-4-7(6)14-15-9/h1-4H,5H2,(H,14,15)(H3,12,13,16,18)
InChIKeyQIKSBLARRCIVSP-UHFFFAOYSA-N
XLogP-0.09
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 5-0.09
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
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2478469
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534586
[2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate
CID 16525548
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 1H-indazole-3-carboxylate
CID 4676467
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 4792568
[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-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2479149
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 5100922
[2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2346483

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2626910) is [2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is NC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is QIKSBLARRCIVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c12-11(18)13-8(16)5-19-10(17)9-6-3-1-2-4-7(6)14-15-9/h1-4H,5H2,(H,14,15)(H3,12,13,16,18).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 262.23 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2626910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).