ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate

C13H25NO3 — CID 145013367

IUPACethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CN(CCOC)C[C@@]1(C)CC
InChIInChI=1S/C13H25NO3/c1-5-13(3)10-14(7-8-16-4)9-11(13)12(15)17-6-2/h11H,5-10H2,1-4H3/t11?,13-/m1/s1
InChIKeyJURSDMKMJKADNG-GLGOKHISSA-N
MW243.35 g/mol
LogP1.54
Rot. Bonds6

About ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate

ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate (PubChem CID 145013367) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate
PubChem CID145013367
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CN(CCOC)C[C@@]1(C)CC
InChIInChI=1S/C13H25NO3/c1-5-13(3)10-14(7-8-16-4)9-11(13)12(15)17-6-2/h11H,5-10H2,1-4H3/t11?,13-/m1/s1
InChIKeyJURSDMKMJKADNG-GLGOKHISSA-N
XLogP1.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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diethyl 1-benzyl-3-methylpyrrolidine-3,4-dicarboxylate
CID 70324739
ethyl 2,2-difluorocyclobutane-1-carboxylate
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trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
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diethyl (3R,4S)-1-(2-aminoethyl)pyrrolidine-3,4-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate (CID 145013367) is ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate is CCOC(=O)C1CN(CCOC)C[C@@]1(C)CC.
What is the InChIKey of ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate?
The InChIKey is JURSDMKMJKADNG-GLGOKHISSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-13(3)10-14(7-8-16-4)9-11(13)12(15)17-6-2/h11H,5-10H2,1-4H3/t11?,13-/m1/s1.
What are the key properties of ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate?
ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 145013367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).