[(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate

C15H19NO4 — CID 67442079

IUPAC[(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate
SMILESCOC([C@@H]1C=CCO1)[C@H](Cc1ccccc1)OC(N)=O
InChIInChI=1S/C15H19NO4/c1-18-14(12-8-5-9-19-12)13(20-15(16)17)10-11-6-3-2-4-7-11/h2-8,12-14H,9-10H2,1H3,(H2,16,17)/t12-,13-,14?/m0/s1
InChIKeyIIKTYAUSPCTOTN-RFHHWMCGSA-N
MW277.32 g/mol
LogP1.66
Rot. Bonds6

About [(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate

[(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate (PubChem CID 67442079) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate
PubChem CID67442079
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate
SMILESCOC([C@@H]1C=CCO1)[C@H](Cc1ccccc1)OC(N)=O
InChIInChI=1S/C15H19NO4/c1-18-14(12-8-5-9-19-12)13(20-15(16)17)10-11-6-3-2-4-7-11/h2-8,12-14H,9-10H2,1H3,(H2,16,17)/t12-,13-,14?/m0/s1
InChIKeyIIKTYAUSPCTOTN-RFHHWMCGSA-N
XLogP1.66
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate?
The IUPAC name of [(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate (CID 67442079) is [(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate?
The canonical SMILES for [(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate is COC([C@@H]1C=CCO1)[C@H](Cc1ccccc1)OC(N)=O.
What is the InChIKey of [(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate?
The InChIKey is IIKTYAUSPCTOTN-RFHHWMCGSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-14(12-8-5-9-19-12)13(20-15(16)17)10-11-6-3-2-4-7-11/h2-8,12-14H,9-10H2,1H3,(H2,16,17)/t12-,13-,14?/m0/s1.
What are the key properties of [(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate?
[(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate has a molecular weight of 277.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate is sourced from PubChem (CID 67442079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).