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

C15H19NO4 — CID 67440849

IUPAC[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] carbamate
SMILESCO[C@](COC(N)=O)(Cc1ccccc1)[C@@H]1C=CCO1
InChIInChI=1S/C15H19NO4/c1-18-15(11-20-14(16)17,13-8-5-9-19-13)10-12-6-3-2-4-7-12/h2-8,13H,9-11H2,1H3,(H2,16,17)/t13-,15-/m0/s1
InChIKeyAYEIWLOYQLRBKO-ZFWWWQNUSA-N
MW277.32 g/mol
LogP1.66
Rot. Bonds6

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

[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] carbamate (PubChem CID 67440849) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] carbamate.

Molecular Properties

Compound Name[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] carbamate
PubChem CID67440849
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] carbamate
SMILESCO[C@](COC(N)=O)(Cc1ccccc1)[C@@H]1C=CCO1
InChIInChI=1S/C15H19NO4/c1-18-15(11-20-14(16)17,13-8-5-9-19-13)10-12-6-3-2-4-7-12/h2-8,13H,9-11H2,1H3,(H2,16,17)/t13-,15-/m0/s1
InChIKeyAYEIWLOYQLRBKO-ZFWWWQNUSA-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)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] carbamate?
The IUPAC name of [(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] carbamate (CID 67440849) is [(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] carbamate.
What is the SMILES notation for [(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] carbamate?
The canonical SMILES for [(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] carbamate is CO[C@](COC(N)=O)(Cc1ccccc1)[C@@H]1C=CCO1.
What is the InChIKey of [(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] carbamate?
The InChIKey is AYEIWLOYQLRBKO-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-15(11-20-14(16)17,13-8-5-9-19-13)10-12-6-3-2-4-7-12/h2-8,13H,9-11H2,1H3,(H2,16,17)/t13-,15-/m0/s1.
What are the key properties of [(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] carbamate?
[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] 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)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxy-3-phenylpropyl] carbamate is sourced from PubChem (CID 67440849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).