(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide

C17H23N3O2 — CID 1468810

IUPAC(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NC1CCCC1)[C@@H]1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H23N3O2/c21-16(18-13-9-4-5-10-13)15-11-6-12-20(15)17(22)19-14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12H2,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyVUXNAMPPHVINFC-HNNXBMFYSA-N
MW301.39 g/mol
LogP2.74
Rot. Bonds3

About (2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide

(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 1468810) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID1468810
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NC1CCCC1)[C@@H]1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H23N3O2/c21-16(18-13-9-4-5-10-13)15-11-6-12-20(15)17(22)19-14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12H2,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyVUXNAMPPHVINFC-HNNXBMFYSA-N
XLogP2.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-N-cyclopentyl-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443076
(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433458
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
(2R)-2-N-cyclopropyl-1-N-[4-[(S)-methylsulfinyl]phenyl]pyrrolidine-1,2-dicarboxamide
CID 124609444
2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015935
(2R)-1-N-phenyl-2-N-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51687470
(2R)-2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051482
2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 78877015
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(2S)-2-N-[(2R)-butan-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1432975
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 1468810) is (2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is VUXNAMPPHVINFC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(18-13-9-4-5-10-13)15-11-6-12-20(15)17(22)19-14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12H2,(H,18,21)(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1468810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).