(3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one

C15H28N2O2 — CID 129428215

IUPAC(3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one
SMILESCCN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@H](C)OC
InChIInChI=1S/C15H28N2O2/c1-4-16-9-5-7-13(16)14-8-6-10-17(14)15(18)11-12(2)19-3/h12-14H,4-11H2,1-3H3/t12-,13+,14+/m0/s1
InChIKeyCVIZYKPQJFKNKM-BFHYXJOUSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds5

About (3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one

(3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one (PubChem CID 129428215) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one.

Molecular Properties

Compound Name(3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one
PubChem CID129428215
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one
SMILESCCN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@H](C)OC
InChIInChI=1S/C15H28N2O2/c1-4-16-9-5-7-13(16)14-8-6-10-17(14)15(18)11-12(2)19-3/h12-14H,4-11H2,1-3H3/t12-,13+,14+/m0/s1
InChIKeyCVIZYKPQJFKNKM-BFHYXJOUSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 98758084
(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one
CID 95323894
(2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 129446622
1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95290603
2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129430392
2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95306760
1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 129430447
1-[2-(1-ethylpyrrolidin-2-yl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 56780300
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 129428882
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129426701
1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 129430293
N-[(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]acetamide
CID 95336835

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one?
The IUPAC name of (3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one (CID 129428215) is (3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one.
What is the SMILES notation for (3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one?
The canonical SMILES for (3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one is CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@H](C)OC.
What is the InChIKey of (3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one?
The InChIKey is CVIZYKPQJFKNKM-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-16-9-5-7-13(16)14-8-6-10-17(14)15(18)11-12(2)19-3/h12-14H,4-11H2,1-3H3/t12-,13+,14+/m0/s1.
What are the key properties of (3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one?
(3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one is sourced from PubChem (CID 129428215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).