(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one

C12H17N3O2 — CID 124593054

IUPAC(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CC[C@@H](Oc2cccnc2)C1
InChIInChI=1S/C12H17N3O2/c1-9(13)12(16)15-6-4-11(8-15)17-10-3-2-5-14-7-10/h2-3,5,7,9,11H,4,6,8,13H2,1H3/t9-,11-/m1/s1
InChIKeyZMEMCFWZFVSCKM-MWLCHTKSSA-N
MW235.29 g/mol
LogP0.41
Rot. Bonds3

About (2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one

(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one (PubChem CID 124593054) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
PubChem CID124593054
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CC[C@@H](Oc2cccnc2)C1
InChIInChI=1S/C12H17N3O2/c1-9(13)12(16)15-6-4-11(8-15)17-10-3-2-5-14-7-10/h2-3,5,7,9,11H,4,6,8,13H2,1H3/t9-,11-/m1/s1
InChIKeyZMEMCFWZFVSCKM-MWLCHTKSSA-N
XLogP0.41
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 99852524
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 119043695
(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
CID 124593505
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
(3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97227310
(3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97067874
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996519
2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone
CID 119043365

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one (CID 124593054) is (2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CC[C@@H](Oc2cccnc2)C1.
What is the InChIKey of (2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one?
The InChIKey is ZMEMCFWZFVSCKM-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(13)12(16)15-6-4-11(8-15)17-10-3-2-5-14-7-10/h2-3,5,7,9,11H,4,6,8,13H2,1H3/t9-,11-/m1/s1.
What are the key properties of (2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one?
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one has a molecular weight of 235.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124593054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).