methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate

C15H19NO4 — CID 102309287

IUPACmethyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate
SMILESCOC(=O)C(NC(C)=O)C1CC[C@H](c2ccccc2)O1
InChIInChI=1S/C15H19NO4/c1-10(17)16-14(15(18)19-2)13-9-8-12(20-13)11-6-4-3-5-7-11/h3-7,12-14H,8-9H2,1-2H3,(H,16,17)/t12-,13?,14?/m1/s1
InChIKeyOWOUAAFGFOYKGV-IYXRBSQSSA-N
MW277.32 g/mol
LogP1.58
Rot. Bonds4

About methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate

methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate (PubChem CID 102309287) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate
PubChem CID102309287
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate
SMILESCOC(=O)C(NC(C)=O)C1CC[C@H](c2ccccc2)O1
InChIInChI=1S/C15H19NO4/c1-10(17)16-14(15(18)19-2)13-9-8-12(20-13)11-6-4-3-5-7-11/h3-7,12-14H,8-9H2,1-2H3,(H,16,17)/t12-,13?,14?/m1/s1
InChIKeyOWOUAAFGFOYKGV-IYXRBSQSSA-N
XLogP1.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate?
The IUPAC name of methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate (CID 102309287) is methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate?
The canonical SMILES for methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate is COC(=O)C(NC(C)=O)C1CC[C@H](c2ccccc2)O1.
What is the InChIKey of methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate?
The InChIKey is OWOUAAFGFOYKGV-IYXRBSQSSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(17)16-14(15(18)19-2)13-9-8-12(20-13)11-6-4-3-5-7-11/h3-7,12-14H,8-9H2,1-2H3,(H,16,17)/t12-,13?,14?/m1/s1.
What are the key properties of methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate?
methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate has a molecular weight of 277.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate is sourced from PubChem (CID 102309287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).