1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone

C12H16N2O2 — CID 115302102

IUPAC1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone
SMILESN[C@H]1CCN(C(=O)C(O)c2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c13-10-6-7-14(8-10)12(16)11(15)9-4-2-1-3-5-9/h1-5,10-11,15H,6-8,13H2/t10-,11?/m0/s1
InChIKeyRDQYOQVSYVZNFR-VUWPPUDQSA-N
MW220.27 g/mol
LogP0.28
Rot. Bonds2

About 1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone

1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone (PubChem CID 115302102) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone
PubChem CID115302102
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone
SMILESN[C@H]1CCN(C(=O)C(O)c2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c13-10-6-7-14(8-10)12(16)11(15)9-4-2-1-3-5-9/h1-5,10-11,15H,6-8,13H2/t10-,11?/m0/s1
InChIKeyRDQYOQVSYVZNFR-VUWPPUDQSA-N
XLogP0.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopyrrolidin-1-yl)-2-hydroxy-2-phenylethanone
CID 62068275
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
1-[(3R)-3-aminopyrrolidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 119409196
1-[(3R)-3-aminopyrrolidin-1-yl]-2-phenyl-2-thiomorpholin-4-ylethanone;dihydrochloride
CID 119412296
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
1-[(3S)-3-aminopyrrolidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119934344
2-hydroxy-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 111464634
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone
CID 61234954
(3S)-1-[(2S)-2-hydroxy-2-phenylacetyl]-N-[4-[4-[[(3R)-1-[(2R)-2-hydroxy-2-phenylacetyl]pyrrolidine-3-carbonyl]amino]phenyl]phenyl]pyrrolidine-3-carboxamide
CID 51035635
1-[(3R)-3-aminopyrrolidin-1-yl]-4,4,4-trifluoro-3-phenylbutan-1-one
CID 119411236

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone (CID 115302102) is 1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone is N[C@H]1CCN(C(=O)C(O)c2ccccc2)C1.
What is the InChIKey of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone?
The InChIKey is RDQYOQVSYVZNFR-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-6-7-14(8-10)12(16)11(15)9-4-2-1-3-5-9/h1-5,10-11,15H,6-8,13H2/t10-,11?/m0/s1.
What are the key properties of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone?
1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone has a molecular weight of 220.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 115302102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).