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

C16H18N4O4 — CID 2088134

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NC1CCCC1
InChIInChI=1S/C16H18N4O4/c21-13(18-16(23)17-10-5-1-2-6-10)9-24-15(22)14-11-7-3-4-8-12(11)19-20-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20)(H2,17,18,21,23)
InChIKeyXBZGNPPKPQINHK-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.49
Rot. Bonds4

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

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2088134) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2088134
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NC1CCCC1
InChIInChI=1S/C16H18N4O4/c21-13(18-16(23)17-10-5-1-2-6-10)9-24-15(22)14-11-7-3-4-8-12(11)19-20-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20)(H2,17,18,21,23)
InChIKeyXBZGNPPKPQINHK-UHFFFAOYSA-N
XLogP1.49
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2088134) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is O=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is XBZGNPPKPQINHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c21-13(18-16(23)17-10-5-1-2-6-10)9-24-15(22)14-11-7-3-4-8-12(11)19-20-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20)(H2,17,18,21,23).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2088134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).