ethyl 2-pyrrolidin-2-ylpropanoate

C9H17NO2 — CID 12896133

IUPACethyl 2-pyrrolidin-2-ylpropanoate
SMILESCCOC(=O)C(C)C1CCCN1
InChIInChI=1S/C9H17NO2/c1-3-12-9(11)7(2)8-5-4-6-10-8/h7-8,10H,3-6H2,1-2H3
InChIKeyITTAHKJGPNWYQQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

About ethyl 2-pyrrolidin-2-ylpropanoate

ethyl 2-pyrrolidin-2-ylpropanoate (PubChem CID 12896133) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-pyrrolidin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-pyrrolidin-2-ylpropanoate
PubChem CID12896133
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-pyrrolidin-2-ylpropanoate
SMILESCCOC(=O)C(C)C1CCCN1
InChIInChI=1S/C9H17NO2/c1-3-12-9(11)7(2)8-5-4-6-10-8/h7-8,10H,3-6H2,1-2H3
InChIKeyITTAHKJGPNWYQQ-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 101351583
ethyl 2-piperazin-2-ylpropanoate
CID 175230129
ethyl 2-cyclopentylpropanoate
CID 10654733
1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one
CID 127001769
ethyl 3-piperidin-2-ylpentanoate
CID 67315004
2-pyrrolidin-2-ylbutanamide
CID 69095576
1,1-diethoxy-1-phosphoroso-3-piperidin-2-ylbutan-2-one
CID 174273004
ethyl 2-propan-2-ylpiperidine-3-carboxylate
CID 83855212
ethyl (E)-4-pyrrolidin-2-ylbut-3-enoate
CID 126845658
(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 134516134
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
ethyl 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]propanoate
CID 102682663

Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyrrolidin-2-ylpropanoate?
The IUPAC name of ethyl 2-pyrrolidin-2-ylpropanoate (CID 12896133) is ethyl 2-pyrrolidin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-pyrrolidin-2-ylpropanoate?
The canonical SMILES for ethyl 2-pyrrolidin-2-ylpropanoate is CCOC(=O)C(C)C1CCCN1.
What is the InChIKey of ethyl 2-pyrrolidin-2-ylpropanoate?
The InChIKey is ITTAHKJGPNWYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-12-9(11)7(2)8-5-4-6-10-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of ethyl 2-pyrrolidin-2-ylpropanoate?
ethyl 2-pyrrolidin-2-ylpropanoate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyrrolidin-2-ylpropanoate is sourced from PubChem (CID 12896133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).