pyrrolidin-3-yl propanoate

C7H13NO2 — CID 53409832

IUPACpyrrolidin-3-yl propanoate
SMILESCCC(=O)OC1CCNC1
InChIInChI=1S/C7H13NO2/c1-2-7(9)10-6-3-4-8-5-6/h6,8H,2-5H2,1H3
InChIKeyCZMQRPFNQOJFKU-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds2

About pyrrolidin-3-yl propanoate

pyrrolidin-3-yl propanoate (PubChem CID 53409832) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is pyrrolidin-3-yl propanoate.

Molecular Properties

Compound Namepyrrolidin-3-yl propanoate
PubChem CID53409832
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namepyrrolidin-3-yl propanoate
SMILESCCC(=O)OC1CCNC1
InChIInChI=1S/C7H13NO2/c1-2-7(9)10-6-3-4-8-5-6/h6,8H,2-5H2,1H3
InChIKeyCZMQRPFNQOJFKU-UHFFFAOYSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-3-yl N,N-dimethylcarbamate
CID 54025595
[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
CID 67938211
[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate
CID 140571611
piperidin-4-yl pentanoate
CID 45091374
methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
CID 34180571
piperidin-4-yl 2-methoxyacetate
CID 53410127
pyrrolidin-3-yl 2,2,2-trichloroacetate;hydrochloride
CID 56829478
3-ethoxypyrrolidine
CID 21333172
(3S)-3-ethoxypyrrolidine
CID 11116030
2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine
CID 174626759
N,N-diethyl-2-pyrrolidin-3-yloxyacetamide
CID 62327394
[(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate
CID 174695074

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl propanoate?
The IUPAC name of pyrrolidin-3-yl propanoate (CID 53409832) is pyrrolidin-3-yl propanoate.
What is the SMILES notation for pyrrolidin-3-yl propanoate?
The canonical SMILES for pyrrolidin-3-yl propanoate is CCC(=O)OC1CCNC1.
What is the InChIKey of pyrrolidin-3-yl propanoate?
The InChIKey is CZMQRPFNQOJFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-7(9)10-6-3-4-8-5-6/h6,8H,2-5H2,1H3.
What are the key properties of pyrrolidin-3-yl propanoate?
pyrrolidin-3-yl propanoate has a molecular weight of 143.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl propanoate is sourced from PubChem (CID 53409832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).