[(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone

C12H22N2O2 — CID 165444725

IUPAC[(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
SMILESC[C@@H]1CN(C(=O)C2CCOC2)C[C@H]1CCN
InChIInChI=1S/C12H22N2O2/c1-9-6-14(7-10(9)2-4-13)12(15)11-3-5-16-8-11/h9-11H,2-8,13H2,1H3/t9-,10-,11?/m1/s1
InChIKeyUUAXOMUAKSZKPP-DIOIDXFWSA-N
MW226.32 g/mol
LogP0.47
Rot. Bonds3

About [(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone

[(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 165444725) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID165444725
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
SMILESC[C@@H]1CN(C(=O)C2CCOC2)C[C@H]1CCN
InChIInChI=1S/C12H22N2O2/c1-9-6-14(7-10(9)2-4-13)12(15)11-3-5-16-8-11/h9-11H,2-8,13H2,1H3/t9-,10-,11?/m1/s1
InChIKeyUUAXOMUAKSZKPP-DIOIDXFWSA-N
XLogP0.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone
CID 63872887
(4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone
CID 114683166
[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 123667986
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
(3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 165444731
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 115746294
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566
(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81118874
[3-(2-chloroethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 114801260
3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl(oxan-4-yl)methanone
CID 91472362
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 172646277

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone (CID 165444725) is [(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone is C[C@@H]1CN(C(=O)C2CCOC2)C[C@H]1CCN.
What is the InChIKey of [(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is UUAXOMUAKSZKPP-DIOIDXFWSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-6-14(7-10(9)2-4-13)12(15)11-3-5-16-8-11/h9-11H,2-8,13H2,1H3/t9-,10-,11?/m1/s1.
What are the key properties of [(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone?
[(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 165444725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).