methyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate

C10H19NO2 — CID 58681486

IUPACmethyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate
SMILESCC[C@@H]1CCCN1CCC(=O)OC
InChIInChI=1S/C10H19NO2/c1-3-9-5-4-7-11(9)8-6-10(12)13-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyZEMWJHUXLMUCNC-SECBINFHSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds4

About methyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate

methyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate (PubChem CID 58681486) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate
PubChem CID58681486
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate
SMILESCC[C@@H]1CCCN1CCC(=O)OC
InChIInChI=1S/C10H19NO2/c1-3-9-5-4-7-11(9)8-6-10(12)13-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyZEMWJHUXLMUCNC-SECBINFHSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate?
The IUPAC name of methyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate (CID 58681486) is methyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate is CC[C@@H]1CCCN1CCC(=O)OC.
What is the InChIKey of methyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate?
The InChIKey is ZEMWJHUXLMUCNC-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-9-5-4-7-11(9)8-6-10(12)13-2/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate?
methyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R)-2-ethylpyrrolidin-1-yl]propanoate is sourced from PubChem (CID 58681486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).