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

C9H17NO2 — CID 10866781

IUPACethyl 3-[(2S)-pyrrolidin-2-yl]propanoate
SMILESCCOC(=O)CC[C@@H]1CCCN1
InChIInChI=1S/C9H17NO2/c1-2-12-9(11)6-5-8-4-3-7-10-8/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyLTVWMXLVXOBZAL-QMMMGPOBSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds4

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

ethyl 3-[(2S)-pyrrolidin-2-yl]propanoate (PubChem CID 10866781) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 3-[(2S)-pyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2S)-pyrrolidin-2-yl]propanoate
PubChem CID10866781
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 3-[(2S)-pyrrolidin-2-yl]propanoate
SMILESCCOC(=O)CC[C@@H]1CCCN1
InChIInChI=1S/C9H17NO2/c1-2-12-9(11)6-5-8-4-3-7-10-8/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyLTVWMXLVXOBZAL-QMMMGPOBSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2S)-pyrrolidin-2-yl]propanoate?
The IUPAC name of ethyl 3-[(2S)-pyrrolidin-2-yl]propanoate (CID 10866781) is ethyl 3-[(2S)-pyrrolidin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[(2S)-pyrrolidin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[(2S)-pyrrolidin-2-yl]propanoate is CCOC(=O)CC[C@@H]1CCCN1.
What is the InChIKey of ethyl 3-[(2S)-pyrrolidin-2-yl]propanoate?
The InChIKey is LTVWMXLVXOBZAL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-12-9(11)6-5-8-4-3-7-10-8/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of ethyl 3-[(2S)-pyrrolidin-2-yl]propanoate?
ethyl 3-[(2S)-pyrrolidin-2-yl]propanoate has a molecular weight of 171.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2S)-pyrrolidin-2-yl]propanoate is sourced from PubChem (CID 10866781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).