[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone

C11H14N2O3 — CID 107705169

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
SMILESN[C@@H]1CCN(C(=O)c2cc(O)cc(O)c2)C1
InChIInChI=1S/C11H14N2O3/c12-8-1-2-13(6-8)11(16)7-3-9(14)5-10(15)4-7/h3-5,8,14-15H,1-2,6,12H2/t8-/m1/s1
InChIKeyUPXXFAIGSACKLU-MRVPVSSYSA-N
MW222.24 g/mol
LogP0.27
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone (PubChem CID 107705169) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
PubChem CID107705169
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
SMILESN[C@@H]1CCN(C(=O)c2cc(O)cc(O)c2)C1
InChIInChI=1S/C11H14N2O3/c12-8-1-2-13(6-8)11(16)7-3-9(14)5-10(15)4-7/h3-5,8,14-15H,1-2,6,12H2/t8-/m1/s1
InChIKeyUPXXFAIGSACKLU-MRVPVSSYSA-N
XLogP0.27
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706427
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
(4-bromo-3-methylpiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone
CID 107706197
(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119482519
methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride
CID 154907673
(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 62067197
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
(3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone
CID 107705861
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone (CID 107705169) is [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone is N[C@@H]1CCN(C(=O)c2cc(O)cc(O)c2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone?
The InChIKey is UPXXFAIGSACKLU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-8-1-2-13(6-8)11(16)7-3-9(14)5-10(15)4-7/h3-5,8,14-15H,1-2,6,12H2/t8-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone has a molecular weight of 222.24 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone is sourced from PubChem (CID 107705169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).