[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate

C16H14N2O6 — CID 7968395

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)NC(=O)NC1CC1
InChIInChI=1S/C16H14N2O6/c19-11-7-13(24-12-4-2-1-3-10(11)12)15(21)23-8-14(20)18-16(22)17-9-5-6-9/h1-4,7,9H,5-6,8H2,(H2,17,18,20,22)
InChIKeyDETBDROSMQMWSV-UHFFFAOYSA-N
MW330.30 g/mol
LogP0.94
Rot. Bonds4

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 7968395) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID7968395
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)NC(=O)NC1CC1
InChIInChI=1S/C16H14N2O6/c19-11-7-13(24-12-4-2-1-3-10(11)12)15(21)23-8-14(20)18-16(22)17-9-5-6-9/h1-4,7,9H,5-6,8H2,(H2,17,18,20,22)
InChIKeyDETBDROSMQMWSV-UHFFFAOYSA-N
XLogP0.94
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193776
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 7968487
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-oxochromene-2-carboxylate
CID 2645963
[2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2432321
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590779
[2-(azepan-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2433745
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 7797585
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080377
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 2630507
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3903369
cyclohexylmethyl 4-oxochromene-2-carboxylate
CID 769492
[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 98285207

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 7968395) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate is O=C(COC(=O)c1cc(=O)c2ccccc2o1)NC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is DETBDROSMQMWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6/c19-11-7-13(24-12-4-2-1-3-10(11)12)15(21)23-8-14(20)18-16(22)17-9-5-6-9/h1-4,7,9H,5-6,8H2,(H2,17,18,20,22).
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 330.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 7968395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).