[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone

C11H13IN2O2 — CID 107732190

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
SMILESN[C@H]1CCN(C(=O)c2cc(I)ccc2O)C1
InChIInChI=1S/C11H13IN2O2/c12-7-1-2-10(15)9(5-7)11(16)14-4-3-8(13)6-14/h1-2,5,8,15H,3-4,6,13H2/t8-/m0/s1
InChIKeyLBZDHGMXFVCSES-QMMMGPOBSA-N
MW332.14 g/mol
LogP1.17
Rot. Bonds1

About [(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone

[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone (PubChem CID 107732190) has the molecular formula C11H13IN2O2 and a molecular weight of 332.14 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
PubChem CID107732190
Molecular FormulaC11H13IN2O2
Molecular Weight332.14 g/mol
Exact Mass332.00
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
SMILESN[C@H]1CCN(C(=O)c2cc(I)ccc2O)C1
InChIInChI=1S/C11H13IN2O2/c12-7-1-2-10(15)9(5-7)11(16)14-4-3-8(13)6-14/h1-2,5,8,15H,3-4,6,13H2/t8-/m0/s1
InChIKeyLBZDHGMXFVCSES-QMMMGPOBSA-N
XLogP1.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732213
[3-(bromomethyl)piperidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732597
(2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113254113
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-hydroxy-5-iodophenyl)methanone
CID 113254875
(2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107732049
[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 81469857
(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride
CID 119378772
[4-(2-bromoethoxy)piperidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732684
[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone
CID 103805035
(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 103806148
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone (CID 107732190) is [(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone is N[C@H]1CCN(C(=O)c2cc(I)ccc2O)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone?
The InChIKey is LBZDHGMXFVCSES-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13IN2O2/c12-7-1-2-10(15)9(5-7)11(16)14-4-3-8(13)6-14/h1-2,5,8,15H,3-4,6,13H2/t8-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone?
[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone has a molecular weight of 332.14 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone is sourced from PubChem (CID 107732190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).