[(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate

C10H19NO4 — CID 59111297

IUPAC[(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate
SMILESCC(C)OCCNC(=O)O[C@H]1CCOC1
InChIInChI=1S/C10H19NO4/c1-8(2)14-6-4-11-10(12)15-9-3-5-13-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyLWMIDVFWWLNQHA-VIFPVBQESA-N
MW217.26 g/mol
LogP0.93
Rot. Bonds5

About [(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate

[(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate (PubChem CID 59111297) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate
PubChem CID59111297
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name[(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate
SMILESCC(C)OCCNC(=O)O[C@H]1CCOC1
InChIInChI=1S/C10H19NO4/c1-8(2)14-6-4-11-10(12)15-9-3-5-13-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyLWMIDVFWWLNQHA-VIFPVBQESA-N
XLogP0.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate?
The IUPAC name of [(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate (CID 59111297) is [(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate.
What is the SMILES notation for [(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate?
The canonical SMILES for [(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate is CC(C)OCCNC(=O)O[C@H]1CCOC1.
What is the InChIKey of [(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate?
The InChIKey is LWMIDVFWWLNQHA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(2)14-6-4-11-10(12)15-9-3-5-13-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t9-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate?
[(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate has a molecular weight of 217.26 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate is sourced from PubChem (CID 59111297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).