1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid

C20H20N2O4 — CID 22665693

IUPAC1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(NC(C(=O)N1CCCC1C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18(15-10-5-2-6-11-15)21-17(14-8-3-1-4-9-14)19(24)22-13-7-12-16(22)20(25)26/h1-6,8-11,16-17H,7,12-13H2,(H,21,23)(H,25,26)
InChIKeyZIORDQWFTVTQRS-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.23
Rot. Bonds5

About 1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid

1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 22665693) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid
PubChem CID22665693
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(NC(C(=O)N1CCCC1C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18(15-10-5-2-6-11-15)21-17(14-8-3-1-4-9-14)19(24)22-13-7-12-16(22)20(25)26/h1-6,8-11,16-17H,7,12-13H2,(H,21,23)(H,25,26)
InChIKeyZIORDQWFTVTQRS-UHFFFAOYSA-N
XLogP2.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
CID 78920023
(2S)-1-(2-benzamido-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 135315648
(2S)-1-[(2S)-2-benzamido-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 126678475
(2S)-1-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 126679483
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
methyl N-[(1R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 71164933
(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
CID 169260137
methyl N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]ethyl]carbamate
CID 59616659
N-[2-(4-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 55520388
1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 80552235
1-[2-[[(2R)-2-benzamido-3-benzoylsulfanylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 88695614

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid (CID 22665693) is 1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid is O=C(NC(C(=O)N1CCCC1C(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZIORDQWFTVTQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(15-10-5-2-6-11-15)21-17(14-8-3-1-4-9-14)19(24)22-13-7-12-16(22)20(25)26/h1-6,8-11,16-17H,7,12-13H2,(H,21,23)(H,25,26).
What are the key properties of 1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid?
1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22665693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).