methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate

C17H13Cl2NO5 — CID 1286820

IUPACmethyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2NO5/c1-7-5-11-13(17(22)24-7)12(9-4-3-8(18)6-10(9)19)14(15(20)25-11)16(21)23-2/h3-6,12H,20H2,1-2H3/t12-/m1/s1
InChIKeyUVMDOOHKKDSVJI-GFCCVEGCSA-N
MW382.20 g/mol
LogP3.12
Rot. Bonds2

About methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate

methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate (PubChem CID 1286820) has the molecular formula C17H13Cl2NO5 and a molecular weight of 382.20 g/mol. Its IUPAC name is methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate
PubChem CID1286820
Molecular FormulaC17H13Cl2NO5
Molecular Weight382.20 g/mol
Exact Mass381.02
IUPAC Namemethyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2NO5/c1-7-5-11-13(17(22)24-7)12(9-4-3-8(18)6-10(9)19)14(15(20)25-11)16(21)23-2/h3-6,12H,20H2,1-2H3/t12-/m1/s1
InChIKeyUVMDOOHKKDSVJI-GFCCVEGCSA-N
XLogP3.12
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate with MolForge

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Related Compounds

methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287322
ethyl (4R)-2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate
CID 1110061
2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 608896
methyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475799
methyl 2-amino-4-(2,4-dichlorophenyl)-4H-benzo[h]chromene-3-carboxylate
CID 3725314
dimethyl 4-(2,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 982608
methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 930757
methyl (4R,7S)-2-amino-4-(2,4-dichlorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 1230470
ethyl 2-amino-4-(3-bromophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate
CID 3585307
methyl (4S)-2-amino-4-(3-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 2040701
methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475527
methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 16833129

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate?
The IUPAC name of methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate (CID 1286820) is methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate.
What is the SMILES notation for methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate?
The canonical SMILES for methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate?
The InChIKey is UVMDOOHKKDSVJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H13Cl2NO5/c1-7-5-11-13(17(22)24-7)12(9-4-3-8(18)6-10(9)19)14(15(20)25-11)16(21)23-2/h3-6,12H,20H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate?
methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate has a molecular weight of 382.20 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate is sourced from PubChem (CID 1286820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).