tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate

C19H33NO6 — CID 10833046

IUPACtert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)C[C@H]1OC(C)(C)O[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]21
InChIInChI=1S/C19H33NO6/c1-17(2,3)25-14(21)11-13-15-12(23-19(7,8)24-13)9-10-20(15)16(22)26-18(4,5)6/h12-13,15H,9-11H2,1-8H3/t12-,13+,15+/m0/s1
InChIKeyZMPXHIZQJUGREP-GZBFAFLISA-N
MW371.47 g/mol
LogP3.25
Rot. Bonds2

About tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate

tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate (PubChem CID 10833046) has the molecular formula C19H33NO6 and a molecular weight of 371.47 g/mol. Its IUPAC name is tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate
PubChem CID10833046
Molecular FormulaC19H33NO6
Molecular Weight371.47 g/mol
Exact Mass371.23
IUPAC Nametert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)C[C@H]1OC(C)(C)O[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]21
InChIInChI=1S/C19H33NO6/c1-17(2,3)25-14(21)11-13-15-12(23-19(7,8)24-13)9-10-20(15)16(22)26-18(4,5)6/h12-13,15H,9-11H2,1-8H3/t12-,13+,15+/m0/s1
InChIKeyZMPXHIZQJUGREP-GZBFAFLISA-N
XLogP3.25
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3aR,7S,7aR)-7-hydroxy-5-oxo-2,3,3a,6,7,7a-hexahydropyrano[3,2-b]pyrrole-1-carboxylate
CID 11379862
[(1S,6S,7R,8R,8aR)-6,7,8-triacetyloxy-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl] acetate
CID 21589169
[(5R,6S,7R,7aS)-7-acetyloxy-1-methyl-2-oxo-6-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-5-yl]methyl acetate
CID 75202786
methyl 2-[(3aS,4R,6R,7S,7aR)-3-acetyl-7-acetyloxy-6-(acetyloxymethyl)-2-oxo-4,6,7,7a-tetrahydro-3aH-pyrano[3,4-d][1,3]oxazol-4-yl]acetate
CID 101577941

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate?
The IUPAC name of tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate (CID 10833046) is tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate.
What is the SMILES notation for tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate?
The canonical SMILES for tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate is CC(C)(C)OC(=O)C[C@H]1OC(C)(C)O[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]21.
What is the InChIKey of tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate?
The InChIKey is ZMPXHIZQJUGREP-GZBFAFLISA-N. The full InChI is InChI=1S/C19H33NO6/c1-17(2,3)25-14(21)11-13-15-12(23-19(7,8)24-13)9-10-20(15)16(22)26-18(4,5)6/h12-13,15H,9-11H2,1-8H3/t12-,13+,15+/m0/s1.
What are the key properties of tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate?
tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate has a molecular weight of 371.47 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate is sourced from PubChem (CID 10833046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).