(2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile

C20H21N3O — CID 16755651

IUPAC(2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21N3O/c21-14-18-7-4-12-23(18)20(24)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19H,4,7,12-13,22H2/t18-,19-/m0/s1
InChIKeyJFHXVIXBGWKRGK-OALUTQOASA-N
MW319.41 g/mol
LogP2.74
Rot. Bonds4

About (2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile

(2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile (PubChem CID 16755651) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile
PubChem CID16755651
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21N3O/c21-14-18-7-4-12-23(18)20(24)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19H,4,7,12-13,22H2/t18-,19-/m0/s1
InChIKeyJFHXVIXBGWKRGK-OALUTQOASA-N
XLogP2.74
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile (CID 16755651) is (2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile?
The InChIKey is JFHXVIXBGWKRGK-OALUTQOASA-N. The full InChI is InChI=1S/C20H21N3O/c21-14-18-7-4-12-23(18)20(24)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19H,4,7,12-13,22H2/t18-,19-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile has a molecular weight of 319.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 16755651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).