ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate

C10H17NO2 — CID 131850205

IUPACethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CNC[C@H]1C1CC1
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)9-6-11-5-8(9)7-3-4-7/h7-9,11H,2-6H2,1H3/t8-,9-/m0/s1
InChIKeySXQBCFBECZNJCA-IUCAKERBSA-N
MW183.25 g/mol
LogP0.80
Rot. Bonds3

About ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate

ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate (PubChem CID 131850205) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate
PubChem CID131850205
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CNC[C@H]1C1CC1
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)9-6-11-5-8(9)7-3-4-7/h7-9,11H,2-6H2,1H3/t8-,9-/m0/s1
InChIKeySXQBCFBECZNJCA-IUCAKERBSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131632236
ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate
CID 155904778
ethyl 4-(4-tert-butylcyclohexyl)pyrrolidine-3-carboxylate
CID 114486732
methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride
CID 155905262
ethyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 94411103
3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137561
ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate
CID 71305550
ethyl (3R,4S)-4-ethylpyrrolidine-3-carboxylate
CID 91664549
ethyl (3R,4R)-4-methoxypyrrolidine-3-carboxylate
CID 167739334
ethyl tricyclo[4.2.2.02,5]decane-7-carboxylate
CID 162434587
ethyl (1S,6S,7R)-tricyclo[4.2.2.02,5]decane-7-carboxylate
CID 166941479
ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate (CID 131850205) is ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate is CCOC(=O)[C@H]1CNC[C@H]1C1CC1.
What is the InChIKey of ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate?
The InChIKey is SXQBCFBECZNJCA-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-10(12)9-6-11-5-8(9)7-3-4-7/h7-9,11H,2-6H2,1H3/t8-,9-/m0/s1.
What are the key properties of ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate?
ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate is sourced from PubChem (CID 131850205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).