(2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one

C20H24N2O2 — CID 23645381

IUPAC(2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C20H24N2O2/c21-19(20(24)22-12-4-7-18(22)14-23)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19,23H,4,7,12-14,21H2/t18-,19-/m0/s1
InChIKeyLJOAGRRYXJQBNN-OALUTQOASA-N
MW324.42 g/mol
LogP2.21
Rot. Bonds5

About (2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one

(2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one (PubChem CID 23645381) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
PubChem CID23645381
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C20H24N2O2/c21-19(20(24)22-12-4-7-18(22)14-23)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19,23H,4,7,12-14,21H2/t18-,19-/m0/s1
InChIKeyLJOAGRRYXJQBNN-OALUTQOASA-N
XLogP2.21
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(S)-Amino-3-biphenyl-4-YL-propionyl)-pyrrolidine-2-(S)-carbonitrile
CID 5459374
(2S)-2-cyano-1-(4-phenyl-L-phenylalanyl)pyrrolidine
CID 16755651
Phe-Pro
CID 7020642
(2S)-1-[(2S)-2-amino-3-[4-(4-methylphenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile
CID 23645374
(2S)-3-[4-(4-fluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895750
(2S,3S)-3-[4-(4-fluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-hydroxy-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895751
(1S,2S)-1-[4-(4-fluorophenyl)phenyl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-[(2-hydroxyethyl)carbamoyl]-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895762
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895808
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(4-methylphenyl)phenyl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895831
(2S)-2-amino-3-(4-phenylphenyl)-1-(pyrrolidin-1-yl)propan-1-one
CID 23645380
(2S,4R)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-4-phenylpyrrolidine-2-carboxylic acid
CID 14103068
(2S,4R)-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 42641779

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one (CID 23645381) is (2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one is N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1CO.
What is the InChIKey of (2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The InChIKey is LJOAGRRYXJQBNN-OALUTQOASA-N. The full InChI is InChI=1S/C20H24N2O2/c21-19(20(24)22-12-4-7-18(22)14-23)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19,23H,4,7,12-14,21H2/t18-,19-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
(2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one has a molecular weight of 324.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 23645381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).