[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate

C21H19NO4 — CID 8747959

IUPAC[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
SMILESO=C(O[C@H](C(=O)NC1CC1)c1ccccc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C21H19NO4/c23-20(22-17-10-11-17)19(14-6-2-1-3-7-14)26-21(24)16-12-15-8-4-5-9-18(15)25-13-16/h1-9,12,17,19H,10-11,13H2,(H,22,23)/t19-/m0/s1
InChIKeyOVZMEJWKWUQXCP-IBGZPJMESA-N
MW349.39 g/mol
LogP3.03
Rot. Bonds5

About [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate (PubChem CID 8747959) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
PubChem CID8747959
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
SMILESO=C(O[C@H](C(=O)NC1CC1)c1ccccc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C21H19NO4/c23-20(22-17-10-11-17)19(14-6-2-1-3-7-14)26-21(24)16-12-15-8-4-5-9-18(15)25-13-16/h1-9,12,17,19H,10-11,13H2,(H,22,23)/t19-/m0/s1
InChIKeyOVZMEJWKWUQXCP-IBGZPJMESA-N
XLogP3.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
CID 6487935
[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 1444651
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745772
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 9415143
[(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate
CID 3231535
[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 2H-chromene-3-carboxylate
CID 8748933
N-cyclooctyl-2H-chromene-3-carboxamide
CID 22578430
N-cyclohexyl-2H-chromene-3-carboxamide
CID 9043314
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18149699
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745614
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 46824904

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate (CID 8747959) is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate is O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)C1=Cc2ccccc2OC1.
What is the InChIKey of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate?
The InChIKey is OVZMEJWKWUQXCP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19NO4/c23-20(22-17-10-11-17)19(14-6-2-1-3-7-14)26-21(24)16-12-15-8-4-5-9-18(15)25-13-16/h1-9,12,17,19H,10-11,13H2,(H,22,23)/t19-/m0/s1.
What are the key properties of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate?
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8747959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).