[(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C11H19NO3 — CID 170106072

IUPAC[(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC[C@@H]1C[C@H](OC(=O)NC2(C)CC2)CO1
InChIInChI=1S/C11H19NO3/c1-3-8-6-9(7-14-8)15-10(13)12-11(2)4-5-11/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyYGIRESAMYRAHGB-BDAKNGLRSA-N
MW213.28 g/mol
LogP1.83
Rot. Bonds3

About [(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 170106072) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID170106072
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC[C@@H]1C[C@H](OC(=O)NC2(C)CC2)CO1
InChIInChI=1S/C11H19NO3/c1-3-8-6-9(7-14-8)15-10(13)12-11(2)4-5-11/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyYGIRESAMYRAHGB-BDAKNGLRSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 170106072) is [(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC[C@@H]1C[C@H](OC(=O)NC2(C)CC2)CO1.
What is the InChIKey of [(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is YGIRESAMYRAHGB-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-8-6-9(7-14-8)15-10(13)12-11(2)4-5-11/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of [(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-ethyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 170106072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).