tert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate

C20H29NO6 — CID 123922161

IUPACtert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate
SMILESCC(C)OC(=O)NC1(C(=O)OC(C)(C)C)COCC1OCc1ccccc1
InChIInChI=1S/C20H29NO6/c1-14(2)26-18(23)21-20(17(22)27-19(3,4)5)13-24-12-16(20)25-11-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3,(H,21,23)
InChIKeyUCSJJPHGSLIRFQ-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.82
Rot. Bonds6

About tert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate

tert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate (PubChem CID 123922161) has the molecular formula C20H29NO6 and a molecular weight of 379.45 g/mol. Its IUPAC name is tert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate
PubChem CID123922161
Molecular FormulaC20H29NO6
Molecular Weight379.45 g/mol
Exact Mass379.20
IUPAC Nametert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate
SMILESCC(C)OC(=O)NC1(C(=O)OC(C)(C)C)COCC1OCc1ccccc1
InChIInChI=1S/C20H29NO6/c1-14(2)26-18(23)21-20(17(22)27-19(3,4)5)13-24-12-16(20)25-11-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3,(H,21,23)
InChIKeyUCSJJPHGSLIRFQ-UHFFFAOYSA-N
XLogP2.82
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate?
The IUPAC name of tert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate (CID 123922161) is tert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate.
What is the SMILES notation for tert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate?
The canonical SMILES for tert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate is CC(C)OC(=O)NC1(C(=O)OC(C)(C)C)COCC1OCc1ccccc1.
What is the InChIKey of tert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate?
The InChIKey is UCSJJPHGSLIRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO6/c1-14(2)26-18(23)21-20(17(22)27-19(3,4)5)13-24-12-16(20)25-11-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3,(H,21,23).
What are the key properties of tert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate?
tert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate has a molecular weight of 379.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-phenylmethoxy-3-(propan-2-yloxycarbonylamino)oxolane-3-carboxylate is sourced from PubChem (CID 123922161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).