methyl (2S)-1-ethylpyrrolidine-2-carboxylate

C8H15NO2 — CID 40634411

IUPACmethyl (2S)-1-ethylpyrrolidine-2-carboxylate
SMILESCCN1CCC[C@H]1C(=O)OC
InChIInChI=1S/C8H15NO2/c1-3-9-6-4-5-7(9)8(10)11-2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyQHWKVODROGDHIE-ZETCQYMHSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds2

About methyl (2S)-1-ethylpyrrolidine-2-carboxylate

methyl (2S)-1-ethylpyrrolidine-2-carboxylate (PubChem CID 40634411) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl (2S)-1-ethylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-ethylpyrrolidine-2-carboxylate
PubChem CID40634411
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl (2S)-1-ethylpyrrolidine-2-carboxylate
SMILESCCN1CCC[C@H]1C(=O)OC
InChIInChI=1S/C8H15NO2/c1-3-9-6-4-5-7(9)8(10)11-2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyQHWKVODROGDHIE-ZETCQYMHSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-ethylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-ethylpyrrolidine-2-carboxylate (CID 40634411) is methyl (2S)-1-ethylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-ethylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-ethylpyrrolidine-2-carboxylate is CCN1CCC[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S)-1-ethylpyrrolidine-2-carboxylate?
The InChIKey is QHWKVODROGDHIE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-9-6-4-5-7(9)8(10)11-2/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of methyl (2S)-1-ethylpyrrolidine-2-carboxylate?
methyl (2S)-1-ethylpyrrolidine-2-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-ethylpyrrolidine-2-carboxylate is sourced from PubChem (CID 40634411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).