[(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate

C9H15NO2 — CID 86319695

IUPAC[(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate
SMILESO=C(OC[C@@H]1CCNC1)C1CC1
InChIInChI=1S/C9H15NO2/c11-9(8-1-2-8)12-6-7-3-4-10-5-7/h7-8,10H,1-6H2/t7-/m1/s1
InChIKeyASBCOKOKNJIWIP-SSDOTTSWSA-N
MW169.22 g/mol
LogP0.55
Rot. Bonds3

About [(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate

[(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate (PubChem CID 86319695) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is [(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate.

Molecular Properties

Compound Name[(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate
PubChem CID86319695
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name[(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate
SMILESO=C(OC[C@@H]1CCNC1)C1CC1
InChIInChI=1S/C9H15NO2/c11-9(8-1-2-8)12-6-7-3-4-10-5-7/h7-8,10H,1-6H2/t7-/m1/s1
InChIKeyASBCOKOKNJIWIP-SSDOTTSWSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-3-ylmethyl cyclopropanecarboxylate
CID 56829549
piperidin-4-ylmethyl piperidine-4-carboxylate
CID 162440838
methyl pyrrolidin-3-ylmethyl carbonate
CID 79337934
pyrrolidin-3-ylmethyl 2,2,2-trichloroacetate;hydrochloride
CID 56829476
pyrrolidin-3-ylmethyl 2-chloroacetate;hydrochloride
CID 53409833
pyrrolidin-3-ylmethyl butanoate
CID 143112520
(4-oxocyclohexyl)methyl piperidine-4-carboxylate
CID 170173347
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
[(3S)-piperidin-3-yl]methyl acetate
CID 11194466
pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride
CID 53409845
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
acetyl 2-pyrrolidin-3-ylacetate
CID 57229182

Frequently Asked Questions

What is the IUPAC name of [(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate?
The IUPAC name of [(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate (CID 86319695) is [(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate.
What is the SMILES notation for [(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate?
The canonical SMILES for [(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate is O=C(OC[C@@H]1CCNC1)C1CC1.
What is the InChIKey of [(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate?
The InChIKey is ASBCOKOKNJIWIP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(8-1-2-8)12-6-7-3-4-10-5-7/h7-8,10H,1-6H2/t7-/m1/s1.
What are the key properties of [(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate?
[(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate is sourced from PubChem (CID 86319695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).