[(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C9H15NO3 — CID 164879392

IUPAC[(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2CCOC2)CC1
InChIInChI=1S/C9H15NO3/c1-9(3-4-9)10-8(11)13-7-2-5-12-6-7/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyBWLRFTJWJWMYOP-ZETCQYMHSA-N
MW185.22 g/mol
LogP1.05
Rot. Bonds2

About [(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164879392) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID164879392
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name[(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2CCOC2)CC1
InChIInChI=1S/C9H15NO3/c1-9(3-4-9)10-8(11)13-7-2-5-12-6-7/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyBWLRFTJWJWMYOP-ZETCQYMHSA-N
XLogP1.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164879392) is [(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@H]2CCOC2)CC1.
What is the InChIKey of [(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is BWLRFTJWJWMYOP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(3-4-9)10-8(11)13-7-2-5-12-6-7/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 185.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164879392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).