methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate

C14H25NO6 — CID 102166668

IUPACmethyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1OC(C)(C)OC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO6/c1-13(2,3)21-12(17)15-9-8-19-14(4,5)20-10(9)7-11(16)18-6/h9-10H,7-8H2,1-6H3,(H,15,17)/t9-,10-/m1/s1
InChIKeyDABBAVLIIFANOZ-NXEZZACHSA-N
MW303.36 g/mol
LogP1.59
Rot. Bonds3

About methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate

methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate (PubChem CID 102166668) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate
PubChem CID102166668
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Namemethyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1OC(C)(C)OC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO6/c1-13(2,3)21-12(17)15-9-8-19-14(4,5)20-10(9)7-11(16)18-6/h9-10H,7-8H2,1-6H3,(H,15,17)/t9-,10-/m1/s1
InChIKeyDABBAVLIIFANOZ-NXEZZACHSA-N
XLogP1.59
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 68605714
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]acetate
CID 85167368
methyl (4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 11438503
tert-butyl N-[(4S,5S)-2,2-dimethyl-4-[(E)-2-methyl-3-[(2S,6R)-4-methylidene-6-(3-trimethylsilylprop-2-ynyl)oxan-2-yl]prop-2-enyl]-1,3-dioxan-5-yl]carbamate
CID 6917334
tert-butyl N-[(2S,3S)-2-(hydroxymethyl)oxetan-3-yl]carbamate
CID 24774076
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
CID 68804451
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10989869
tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate
CID 58959909
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101265838
ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11186180
tert-butyl N-[(1R,5S)-5-hydroxy-3,3-dimethylcyclohexyl]carbamate
CID 90020389
tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate
CID 175877569

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate?
The IUPAC name of methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate (CID 102166668) is methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate?
The canonical SMILES for methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate is COC(=O)C[C@H]1OC(C)(C)OC[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate?
The InChIKey is DABBAVLIIFANOZ-NXEZZACHSA-N. The full InChI is InChI=1S/C14H25NO6/c1-13(2,3)21-12(17)15-9-8-19-14(4,5)20-10(9)7-11(16)18-6/h9-10H,7-8H2,1-6H3,(H,15,17)/t9-,10-/m1/s1.
What are the key properties of methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate?
methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate has a molecular weight of 303.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 102166668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).