ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate

C12H19NO3 — CID 59628502

IUPACethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](CC(=O)C2CC2)CN1
InChIInChI=1S/C12H19NO3/c1-2-16-12(15)10-5-8(7-13-10)6-11(14)9-3-4-9/h8-10,13H,2-7H2,1H3/t8-,10-/m0/s1
InChIKeyZARMKXMJSMEGAX-WPRPVWTQSA-N
MW225.29 g/mol
LogP0.90
Rot. Bonds5

About ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate

ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate (PubChem CID 59628502) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate
PubChem CID59628502
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](CC(=O)C2CC2)CN1
InChIInChI=1S/C12H19NO3/c1-2-16-12(15)10-5-8(7-13-10)6-11(14)9-3-4-9/h8-10,13H,2-7H2,1H3/t8-,10-/m0/s1
InChIKeyZARMKXMJSMEGAX-WPRPVWTQSA-N
XLogP0.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride
CID 42614259
ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate
CID 131844507
ethyl 4-methoxypyrrolidine-2-carboxylate
CID 43119085
ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate
CID 140523794
ethyl 5-carbamoylpiperidine-2-carboxylate
CID 165453986
ethyl 4-tert-butylpyrrolidine-2-carboxylate
CID 172520224
ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
CID 42614258
diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
CID 170905947
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
1-(4-ethylpyrrolidin-2-yl)propan-1-one
CID 176934348

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate (CID 59628502) is ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1C[C@@H](CC(=O)C2CC2)CN1.
What is the InChIKey of ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate?
The InChIKey is ZARMKXMJSMEGAX-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-16-12(15)10-5-8(7-13-10)6-11(14)9-3-4-9/h8-10,13H,2-7H2,1H3/t8-,10-/m0/s1.
What are the key properties of ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate?
ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 59628502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).