[(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate

C20H20N2O6 — CID 71348633

IUPAC[(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate
SMILESCN(C)C(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C20H20N2O6/c1-22(2)18(24)16(28-20(26)14-11-7-4-8-12-14)15(17(21)23)27-19(25)13-9-5-3-6-10-13/h3-12,15-16H,1-2H3,(H2,21,23)/t15-,16-/m1/s1
InChIKeyIYQNVCKVMJOAQR-HZPDHXFCSA-N
MW384.39 g/mol
LogP1.01
Rot. Bonds7

About [(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate

[(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate (PubChem CID 71348633) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is [(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate.

Molecular Properties

Compound Name[(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate
PubChem CID71348633
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name[(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate
SMILESCN(C)C(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C20H20N2O6/c1-22(2)18(24)16(28-20(26)14-11-7-4-8-12-14)15(17(21)23)27-19(25)13-9-5-3-6-10-13/h3-12,15-16H,1-2H3,(H2,21,23)/t15-,16-/m1/s1
InChIKeyIYQNVCKVMJOAQR-HZPDHXFCSA-N
XLogP1.01
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate?
The IUPAC name of [(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate (CID 71348633) is [(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate.
What is the SMILES notation for [(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate?
The canonical SMILES for [(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate is CN(C)C(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(N)=O.
What is the InChIKey of [(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate?
The InChIKey is IYQNVCKVMJOAQR-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-22(2)18(24)16(28-20(26)14-11-7-4-8-12-14)15(17(21)23)27-19(25)13-9-5-3-6-10-13/h3-12,15-16H,1-2H3,(H2,21,23)/t15-,16-/m1/s1.
What are the key properties of [(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate?
[(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate has a molecular weight of 384.39 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-amino-3-benzoyloxy-4-(dimethylamino)-1,4-dioxobutan-2-yl] benzoate is sourced from PubChem (CID 71348633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).