diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate

C20H26N2O5 — CID 7961146

IUPACdiethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@H]1c1ccc(N(C)C)cc1
InChIInChI=1S/C20H26N2O5/c1-6-25-19(23)15-12(3)27-18(21)17(20(24)26-7-2)16(15)13-8-10-14(11-9-13)22(4)5/h8-11,16H,6-7,21H2,1-5H3/t16-/m0/s1
InChIKeyIXIUCTYILBDVLN-INIZCTEOSA-N
MW374.44 g/mol
LogP2.44
Rot. Bonds6

About diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate

diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate (PubChem CID 7961146) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate
PubChem CID7961146
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Namediethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@H]1c1ccc(N(C)C)cc1
InChIInChI=1S/C20H26N2O5/c1-6-25-19(23)15-12(3)27-18(21)17(20(24)26-7-2)16(15)13-8-10-14(11-9-13)22(4)5/h8-11,16H,6-7,21H2,1-5H3/t16-/m0/s1
InChIKeyIXIUCTYILBDVLN-INIZCTEOSA-N
XLogP2.44
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl (4R)-2-amino-4-(4-ethoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 8613900
diethyl (4S)-2-amino-6-methyl-4-(4-nitrophenyl)-4H-pyran-3,5-dicarboxylate
CID 1376731
diethyl (4R)-2-amino-4-(1,3-benzodioxol-5-yl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 8613895
ethyl 6-amino-5-cyano-2-methyl-4-[4-(N-phenylanilino)phenyl]-4H-pyran-3-carboxylate
CID 169390332
4-(2-amino-3-ethoxycarbonyl-5-ethyl-6-methyl-4H-pyran-4-yl)benzoic acid
CID 135139317
ethyl 6-amino-5-cyano-4-[4-(3-fluoro-N-methylanilino)phenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169392337
ethyl 6-amino-5-cyano-2-methyl-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-4H-pyran-3-carboxylate
CID 169391270
ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate
CID 40554150
3-O-ethyl 5-O-methyl (4S)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate
CID 679376
3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate
CID 679375
ethyl 2-amino-11-butyl-4-[4-(dimethylamino)phenyl]-5-methyl-4H-pyrano[2,3-b][1,5]benzodiazepine-3-carboxylate
CID 14568138
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate;hydrate
CID 51056751

Frequently Asked Questions

What is the IUPAC name of diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate?
The IUPAC name of diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate (CID 7961146) is diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate.
What is the SMILES notation for diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate?
The canonical SMILES for diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate is CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@H]1c1ccc(N(C)C)cc1.
What is the InChIKey of diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate?
The InChIKey is IXIUCTYILBDVLN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-6-25-19(23)15-12(3)27-18(21)17(20(24)26-7-2)16(15)13-8-10-14(11-9-13)22(4)5/h8-11,16H,6-7,21H2,1-5H3/t16-/m0/s1.
What are the key properties of diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate?
diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate has a molecular weight of 374.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate is sourced from PubChem (CID 7961146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).