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

C10H17NO3 — CID 170105828

IUPAC[(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESC[C@@H]1C[C@H](OC(=O)NC2(C)CC2)CO1
InChIInChI=1S/C10H17NO3/c1-7-5-8(6-13-7)14-9(12)11-10(2)3-4-10/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
InChIKeyZVXJVNRMVGPJLO-SFYZADRCSA-N
MW199.25 g/mol
LogP1.44
Rot. Bonds2

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

[(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 170105828) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID170105828
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESC[C@@H]1C[C@H](OC(=O)NC2(C)CC2)CO1
InChIInChI=1S/C10H17NO3/c1-7-5-8(6-13-7)14-9(12)11-10(2)3-4-10/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
InChIKeyZVXJVNRMVGPJLO-SFYZADRCSA-N
XLogP1.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 170105828) is [(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate is C[C@@H]1C[C@H](OC(=O)NC2(C)CC2)CO1.
What is the InChIKey of [(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is ZVXJVNRMVGPJLO-SFYZADRCSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-5-8(6-13-7)14-9(12)11-10(2)3-4-10/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8+/m1/s1.
What are the key properties of [(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 199.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 170105828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).