methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate

C18H25NO6 — CID 123683116

IUPACmethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate
SMILESCOC(=O)C1(NC(=O)OC(C)(C)C)COCC1OCc1ccccc1
InChIInChI=1S/C18H25NO6/c1-17(2,3)25-16(21)19-18(15(20)22-4)12-23-11-14(18)24-10-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,19,21)
InChIKeyLFNWSBSDQHDTEV-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.04
Rot. Bonds5

About methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate

methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate (PubChem CID 123683116) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate
PubChem CID123683116
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Namemethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate
SMILESCOC(=O)C1(NC(=O)OC(C)(C)C)COCC1OCc1ccccc1
InChIInChI=1S/C18H25NO6/c1-17(2,3)25-16(21)19-18(15(20)22-4)12-23-11-14(18)24-10-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,19,21)
InChIKeyLFNWSBSDQHDTEV-UHFFFAOYSA-N
XLogP2.04
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate?
The IUPAC name of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate (CID 123683116) is methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate.
What is the SMILES notation for methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate?
The canonical SMILES for methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate is COC(=O)C1(NC(=O)OC(C)(C)C)COCC1OCc1ccccc1.
What is the InChIKey of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate?
The InChIKey is LFNWSBSDQHDTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-17(2,3)25-16(21)19-18(15(20)22-4)12-23-11-14(18)24-10-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,19,21).
What are the key properties of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate?
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylate is sourced from PubChem (CID 123683116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).