ethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate

C8H15NO3 — CID 59830641

IUPACethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
SMILESCCOC(=O)CO[C@H]1CCNC1
InChIInChI=1S/C8H15NO3/c1-2-11-8(10)6-12-7-3-4-9-5-7/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyPKFPSNBWVTXLGU-ZETCQYMHSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds4

About ethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate

ethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate (PubChem CID 59830641) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
PubChem CID59830641
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
SMILESCCOC(=O)CO[C@H]1CCNC1
InChIInChI=1S/C8H15NO3/c1-2-11-8(10)6-12-7-3-4-9-5-7/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyPKFPSNBWVTXLGU-ZETCQYMHSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate?
The IUPAC name of ethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate (CID 59830641) is ethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate?
The canonical SMILES for ethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate is CCOC(=O)CO[C@H]1CCNC1.
What is the InChIKey of ethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate?
The InChIKey is PKFPSNBWVTXLGU-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-11-8(10)6-12-7-3-4-9-5-7/h7,9H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of ethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate?
ethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate has a molecular weight of 173.21 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate is sourced from PubChem (CID 59830641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).