ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate

C18H17NO3 — CID 40554150

IUPACethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccccc2[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-2-21-18(20)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)22-17(16)19/h3-11,15H,2,19H2,1H3/t15-/m1/s1
InChIKeyPDVADOHUAUXDAY-OAHLLOKOSA-N
MW295.34 g/mol
LogP2.94
Rot. Bonds3

About ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate

ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate (PubChem CID 40554150) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate
PubChem CID40554150
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccccc2[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-2-21-18(20)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)22-17(16)19/h3-11,15H,2,19H2,1H3/t15-/m1/s1
InChIKeyPDVADOHUAUXDAY-OAHLLOKOSA-N
XLogP2.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate
CID 917052
ethyl (4S)-2-amino-4-(dicyanomethyl)-4H-chromene-3-carboxylate
CID 6923286
ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 7184062
ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate
CID 3326186
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate;hydrate
CID 51056751
diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 23826620
ethyl 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
CID 4160314
ethyl (1S)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carboxylate
CID 7039551
diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate
CID 7961146
ethyl (4S)-5-acetyl-2-amino-4-(2-bromophenyl)-6-methyl-4H-pyran-3-carboxylate
CID 8613813
ethyl 2-oxo-3H-1-benzofuran-3-carboxylate
CID 12858903
ethyl 3-oxo-2-(9H-xanthen-9-yl)butanoate
CID 12676138

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate?
The IUPAC name of ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate (CID 40554150) is ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate is CCOC(=O)C1=C(N)Oc2ccccc2[C@H]1c1ccccc1.
What is the InChIKey of ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate?
The InChIKey is PDVADOHUAUXDAY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-21-18(20)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)22-17(16)19/h3-11,15H,2,19H2,1H3/t15-/m1/s1.
What are the key properties of ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate?
ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate is sourced from PubChem (CID 40554150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).