[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate

C17H18ClNO5 — CID 8876830

IUPAC[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate
SMILESCCC[C@@H](C)NC(=O)COC(=O)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C17H18ClNO5/c1-3-4-10(2)19-16(21)9-23-17(22)15-8-13(20)12-7-11(18)5-6-14(12)24-15/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyUYUMVDNZLAXCLI-SNVBAGLBSA-N
MW351.79 g/mol
LogP2.91
Rot. Bonds6

About [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate (PubChem CID 8876830) has the molecular formula C17H18ClNO5 and a molecular weight of 351.79 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate
PubChem CID8876830
Molecular FormulaC17H18ClNO5
Molecular Weight351.79 g/mol
Exact Mass351.09
IUPAC Name[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate
SMILESCCC[C@@H](C)NC(=O)COC(=O)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C17H18ClNO5/c1-3-4-10(2)19-16(21)9-23-17(22)15-8-13(20)12-7-11(18)5-6-14(12)24-15/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyUYUMVDNZLAXCLI-SNVBAGLBSA-N
XLogP2.91
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(pentylamino)ethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8541109
[2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8876580
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728915
[2-(butylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729302
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877430
[2-(azocan-1-yl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8541005
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 9310281
[2-oxo-2-(pentan-2-ylamino)ethyl] 6-chloro-2H-chromene-3-carboxylate
CID 18099486
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877631
[2-(butan-2-ylamino)-2-oxoethyl] 5-amino-1-benzofuran-2-carboxylate
CID 61320981
2-(3,5-dimethylphenoxy)ethyl 6-chloro-4-oxochromene-2-carboxylate
CID 8876387
(2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate
CID 8877344

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate?
The IUPAC name of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate (CID 8876830) is [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate is CCC[C@@H](C)NC(=O)COC(=O)c1cc(=O)c2cc(Cl)ccc2o1.
What is the InChIKey of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate?
The InChIKey is UYUMVDNZLAXCLI-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18ClNO5/c1-3-4-10(2)19-16(21)9-23-17(22)15-8-13(20)12-7-11(18)5-6-14(12)24-15/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)/t10-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate?
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate has a molecular weight of 351.79 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate is sourced from PubChem (CID 8876830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).