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

C14H20N2O2 — CID 81469149

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CC[C@@H](N)C2)c1
InChIInChI=1S/C14H20N2O2/c1-2-8-18-13-5-3-4-11(9-13)14(17)16-7-6-12(15)10-16/h3-5,9,12H,2,6-8,10,15H2,1H3/t12-/m1/s1
InChIKeyFINPLNAXBMFUPV-GFCCVEGCSA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds4

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

[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone (PubChem CID 81469149) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
PubChem CID81469149
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CC[C@@H](N)C2)c1
InChIInChI=1S/C14H20N2O2/c1-2-8-18-13-5-3-4-11(9-13)14(17)16-7-6-12(15)10-16/h3-5,9,12H,2,6-8,10,15H2,1H3/t12-/m1/s1
InChIKeyFINPLNAXBMFUPV-GFCCVEGCSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 114802085
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-phenylethoxy)phenyl]methanone
CID 125448030
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
[3-(2-aminoethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone;hydrochloride
CID 120727696
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069
(3-aminopyrrolidin-1-yl)-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 146081197
[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone
CID 119412089
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(3-methoxypropoxy)phenyl]methanone
CID 119484172
[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 119410482
[(3R)-3-aminopyrrolidin-1-yl]-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methanone;hydrochloride
CID 119413073
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119410481

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone (CID 81469149) is [(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)N2CC[C@@H](N)C2)c1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone?
The InChIKey is FINPLNAXBMFUPV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-8-18-13-5-3-4-11(9-13)14(17)16-7-6-12(15)10-16/h3-5,9,12H,2,6-8,10,15H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone is sourced from PubChem (CID 81469149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).