[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone

C16H22N2O3 — CID 124699629

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESN[C@@H]1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1
InChIInChI=1S/C16H22N2O3/c17-13-7-8-18(10-13)16(19)12-3-5-14(6-4-12)21-11-15-2-1-9-20-15/h3-6,13,15H,1-2,7-11,17H2/t13-,15+/m1/s1
InChIKeyDGABYGNNOFDJOF-HIFRSBDPSA-N
MW290.36 g/mol
LogP1.42
Rot. Bonds4

About [(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (PubChem CID 124699629) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
PubChem CID124699629
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESN[C@@H]1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1
InChIInChI=1S/C16H22N2O3/c17-13-7-8-18(10-13)16(19)12-3-5-14(6-4-12)21-11-15-2-1-9-20-15/h3-6,13,15H,1-2,7-11,17H2/t13-,15+/m1/s1
InChIKeyDGABYGNNOFDJOF-HIFRSBDPSA-N
XLogP1.42
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone with MolForge

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Related Compounds

1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113571
(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 78774258
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 120656262
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
(2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 97090718
(2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
CID 95901252
(2S)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
CID 95901253
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
(3R)-3-methyl-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125134053
3-fluoro-1-[4-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119258668

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (CID 124699629) is [(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is N[C@@H]1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The InChIKey is DGABYGNNOFDJOF-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-13-7-8-18(10-13)16(19)12-3-5-14(6-4-12)21-11-15-2-1-9-20-15/h3-6,13,15H,1-2,7-11,17H2/t13-,15+/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone has a molecular weight of 290.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 124699629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).