[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone

C16H24N2O3 — CID 119412089

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CC[C@@H](N)C2)cc1OCC
InChIInChI=1S/C16H24N2O3/c1-3-9-21-14-6-5-12(10-15(14)20-4-2)16(19)18-8-7-13(17)11-18/h5-6,10,13H,3-4,7-9,11,17H2,1-2H3/t13-/m1/s1
InChIKeyGXCQWFYXRDLXRG-CYBMUJFWSA-N
MW292.38 g/mol
LogP2.05
Rot. Bonds6

About [(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone (PubChem CID 119412089) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone
PubChem CID119412089
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CC[C@@H](N)C2)cc1OCC
InChIInChI=1S/C16H24N2O3/c1-3-9-21-14-6-5-12(10-15(14)20-4-2)16(19)18-8-7-13(17)11-18/h5-6,10,13H,3-4,7-9,11,17H2,1-2H3/t13-/m1/s1
InChIKeyGXCQWFYXRDLXRG-CYBMUJFWSA-N
XLogP2.05
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methanone;hydrochloride
CID 119413073
(3,4-diethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348611
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(3,4-dipropoxyphenyl)butane-1,4-dione;hydrochloride
CID 119409422
(3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491736
[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(3,4-diethoxyphenyl)methanone
CID 122147673
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
[3-(aminomethyl)piperidin-1-yl]-(3,4-diethoxyphenyl)methanone;hydrochloride
CID 119464837
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
(3-aminopiperidin-1-yl)-(4-butoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119379632

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone (CID 119412089) is [(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)N2CC[C@@H](N)C2)cc1OCC.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone?
The InChIKey is GXCQWFYXRDLXRG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-9-21-14-6-5-12(10-15(14)20-4-2)16(19)18-8-7-13(17)11-18/h5-6,10,13H,3-4,7-9,11,17H2,1-2H3/t13-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone has a molecular weight of 292.38 g/mol, XLogP of 2.05, 6 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]-(3-ethoxy-4-propoxyphenyl)methanone is sourced from PubChem (CID 119412089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).