(2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one

C13H17IN2O — CID 58648589

IUPAC(2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@H](Cc1ccc(I)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H17IN2O/c14-11-5-3-10(4-6-11)9-12(15)13(17)16-7-1-2-8-16/h3-6,12H,1-2,7-9,15H2/t12-/m1/s1
InChIKeyBQTZMESYUYMRTR-GFCCVEGCSA-N
MW344.20 g/mol
LogP1.78
Rot. Bonds3

About (2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 58648589) has the molecular formula C13H17IN2O and a molecular weight of 344.20 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID58648589
Molecular FormulaC13H17IN2O
Molecular Weight344.20 g/mol
Exact Mass344.04
IUPAC Name(2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@H](Cc1ccc(I)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H17IN2O/c14-11-5-3-10(4-6-11)9-12(15)13(17)16-7-1-2-8-16/h3-6,12H,1-2,7-9,15H2/t12-/m1/s1
InChIKeyBQTZMESYUYMRTR-GFCCVEGCSA-N
XLogP1.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-ethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851361
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)benzonitrile;hydrochloride
CID 19703184
2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 23002640
(2S)-2-amino-1-(azocan-1-yl)-3-(3,4-dihydroxyphenyl)propan-1-one
CID 61148033
acetonitrile;(2S)-2-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904143
2-amino-3-[4-[[methyl(propyl)amino]methyl]phenyl]-1-pyrrolidin-1-ylpropan-1-one
CID 21070228
(2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane
CID 142913175

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 58648589) is (2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one is N[C@H](Cc1ccc(I)cc1)C(=O)N1CCCC1.
What is the InChIKey of (2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BQTZMESYUYMRTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17IN2O/c14-11-5-3-10(4-6-11)9-12(15)13(17)16-7-1-2-8-16/h3-6,12H,1-2,7-9,15H2/t12-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 344.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 58648589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).