[(3R)-1-methylpyrrolidin-3-yl] propanoate

C8H15NO2 — CID 45088505

IUPAC[(3R)-1-methylpyrrolidin-3-yl] propanoate
SMILESCCC(=O)O[C@@H]1CCN(C)C1
InChIInChI=1S/C8H15NO2/c1-3-8(10)11-7-4-5-9(2)6-7/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyYXGFOCDXNTYPPR-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds2

About [(3R)-1-methylpyrrolidin-3-yl] propanoate

[(3R)-1-methylpyrrolidin-3-yl] propanoate (PubChem CID 45088505) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(3R)-1-methylpyrrolidin-3-yl] propanoate.

Molecular Properties

Compound Name[(3R)-1-methylpyrrolidin-3-yl] propanoate
PubChem CID45088505
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(3R)-1-methylpyrrolidin-3-yl] propanoate
SMILESCCC(=O)O[C@@H]1CCN(C)C1
InChIInChI=1S/C8H15NO2/c1-3-8(10)11-7-4-5-9(2)6-7/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyYXGFOCDXNTYPPR-SSDOTTSWSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylpyrrolidin-3-yl] propanoate?
The IUPAC name of [(3R)-1-methylpyrrolidin-3-yl] propanoate (CID 45088505) is [(3R)-1-methylpyrrolidin-3-yl] propanoate.
What is the SMILES notation for [(3R)-1-methylpyrrolidin-3-yl] propanoate?
The canonical SMILES for [(3R)-1-methylpyrrolidin-3-yl] propanoate is CCC(=O)O[C@@H]1CCN(C)C1.
What is the InChIKey of [(3R)-1-methylpyrrolidin-3-yl] propanoate?
The InChIKey is YXGFOCDXNTYPPR-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-8(10)11-7-4-5-9(2)6-7/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of [(3R)-1-methylpyrrolidin-3-yl] propanoate?
[(3R)-1-methylpyrrolidin-3-yl] propanoate has a molecular weight of 157.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methylpyrrolidin-3-yl] propanoate is sourced from PubChem (CID 45088505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).