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

C18H22N4O4 — CID 7956597

IUPAC[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESC[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H22N4O4/c1-11-6-2-4-8-13(11)19-18(25)20-15(23)10-26-17(24)16-12-7-3-5-9-14(12)21-22-16/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,21,22)(H2,19,20,23,25)/t11-,13-/m1/s1
InChIKeyXUONCNJCTXEEMG-DGCLKSJQSA-N
MW358.40 g/mol
LogP2.12
Rot. Bonds4

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

[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 7956597) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is [2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID7956597
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESC[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H22N4O4/c1-11-6-2-4-8-13(11)19-18(25)20-15(23)10-26-17(24)16-12-7-3-5-9-14(12)21-22-16/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,21,22)(H2,19,20,23,25)/t11-,13-/m1/s1
InChIKeyXUONCNJCTXEEMG-DGCLKSJQSA-N
XLogP2.12
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate with MolForge

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Related Compounds

[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] naphthalene-1-carboxylate
CID 8707372
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723695
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 7798258
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960340
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549722
[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2626910
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817230
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7980769
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 11929185
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867736
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8611579
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838244

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate (CID 7956597) is [2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate is C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is XUONCNJCTXEEMG-DGCLKSJQSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11-6-2-4-8-13(11)19-18(25)20-15(23)10-26-17(24)16-12-7-3-5-9-14(12)21-22-16/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,21,22)(H2,19,20,23,25)/t11-,13-/m1/s1.
What are the key properties of [2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 7956597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).