[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate

C8H13NO4 — CID 68511625

IUPAC[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate
SMILESCO[C@H](COC(N)=O)[C@@H]1C=CCO1
InChIInChI=1S/C8H13NO4/c1-11-7(5-13-8(9)10)6-3-2-4-12-6/h2-3,6-7H,4-5H2,1H3,(H2,9,10)/t6-,7+/m0/s1
InChIKeyHLOXYSNJXAQWDK-NKWVEPMBSA-N
MW187.19 g/mol
LogP0.05
Rot. Bonds4

About [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate

[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate (PubChem CID 68511625) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate.

Molecular Properties

Compound Name[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate
PubChem CID68511625
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate
SMILESCO[C@H](COC(N)=O)[C@@H]1C=CCO1
InChIInChI=1S/C8H13NO4/c1-11-7(5-13-8(9)10)6-3-2-4-12-6/h2-3,6-7H,4-5H2,1H3,(H2,9,10)/t6-,7+/m0/s1
InChIKeyHLOXYSNJXAQWDK-NKWVEPMBSA-N
XLogP0.05
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.05
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 [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate?
The IUPAC name of [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate (CID 68511625) is [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate.
What is the SMILES notation for [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate?
The canonical SMILES for [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate is CO[C@H](COC(N)=O)[C@@H]1C=CCO1.
What is the InChIKey of [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate?
The InChIKey is HLOXYSNJXAQWDK-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H13NO4/c1-11-7(5-13-8(9)10)6-3-2-4-12-6/h2-3,6-7H,4-5H2,1H3,(H2,9,10)/t6-,7+/m0/s1.
What are the key properties of [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate?
[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate has a molecular weight of 187.19 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate is sourced from PubChem (CID 68511625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).