methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate

C14H17NO6 — CID 147689277

IUPACmethyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)[C@H]1COC(C(N)COC(=O)c2ccccc2)O1
InChIInChI=1S/C14H17NO6/c1-18-13(17)11-8-20-14(21-11)10(15)7-19-12(16)9-5-3-2-4-6-9/h2-6,10-11,14H,7-8,15H2,1H3/t10?,11-,14?/m1/s1
InChIKeyGQQJXYZMNVLTRX-IQLKVPPVSA-N
MW295.29 g/mol
LogP0.09
Rot. Bonds5

About methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate

methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate (PubChem CID 147689277) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate
PubChem CID147689277
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Namemethyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)[C@H]1COC(C(N)COC(=O)c2ccccc2)O1
InChIInChI=1S/C14H17NO6/c1-18-13(17)11-8-20-14(21-11)10(15)7-19-12(16)9-5-3-2-4-6-9/h2-6,10-11,14H,7-8,15H2,1H3/t10?,11-,14?/m1/s1
InChIKeyGQQJXYZMNVLTRX-IQLKVPPVSA-N
XLogP0.09
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate with MolForge

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Related Compounds

(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
dioxolan-4-amine;methyl benzoate
CID 87476629
[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 14018806
[(2S,3R,4S,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 24838313
[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756
[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
CID 86334795
[(2S)-2-(ethylamino)propyl] benzoate
CID 90069288
[(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate
CID 67190343
methyl 4-(benzylamino)oxolane-2-carboxylate
CID 170166126
(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802
[3-(benzoyloxymethyl)-2-benzyl-4-phenylbutyl] benzoate
CID 141068150
[(2R)-2-amino-3-chloropropyl] benzoate
CID 40622479

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate (CID 147689277) is methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate is COC(=O)[C@H]1COC(C(N)COC(=O)c2ccccc2)O1.
What is the InChIKey of methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate?
The InChIKey is GQQJXYZMNVLTRX-IQLKVPPVSA-N. The full InChI is InChI=1S/C14H17NO6/c1-18-13(17)11-8-20-14(21-11)10(15)7-19-12(16)9-5-3-2-4-6-9/h2-6,10-11,14H,7-8,15H2,1H3/t10?,11-,14?/m1/s1.
What are the key properties of methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate?
methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate has a molecular weight of 295.29 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-(1-amino-2-benzoyloxyethyl)-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 147689277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).