(2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

C17H23N3O2 — CID 129048718

IUPAC(2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C17H23N3O2/c18-16(22)17(12-13-6-2-1-3-7-13)9-5-11-20(17)15(21)14-8-4-10-19-14/h1-3,6-7,14,19H,4-5,8-12H2,(H2,18,22)/t14-,17+/m0/s1
InChIKeyKFBOVZCCJRJEHB-WMLDXEAASA-N
MW301.39 g/mol
LogP0.83
Rot. Bonds4

About (2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

(2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 129048718) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID129048718
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C17H23N3O2/c18-16(22)17(12-13-6-2-1-3-7-13)9-5-11-20(17)15(21)14-8-4-10-19-14/h1-3,6-7,14,19H,4-5,8-12H2,(H2,18,22)/t14-,17+/m0/s1
InChIKeyKFBOVZCCJRJEHB-WMLDXEAASA-N
XLogP0.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 159272717
[(2S,3R)-3-acetyloxy-1-methoxy-1-oxobutan-2-yl]-[2-benzyl-1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]carbamic acid
CID 138597555
methyl 3-acetyloxy-2-[[(2S)-2-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoate
CID 138597496
N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-2-[(3,5-dibromophenyl)methyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 123632862
1-(piperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106975985
butanedioic acid;bis((2S)-2-cyano-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide)
CID 69432096
(2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride
CID 67817912
(2S)-2-benzyl-2-carbonochloridoylpyrrolidine-1-carboxylic acid
CID 118093412
2-methyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 103871068
2-phenyl-1-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
CID 160707821
(4-benzyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 119399417
(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 154900279

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (CID 129048718) is (2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is NC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is KFBOVZCCJRJEHB-WMLDXEAASA-N. The full InChI is InChI=1S/C17H23N3O2/c18-16(22)17(12-13-6-2-1-3-7-13)9-5-11-20(17)15(21)14-8-4-10-19-14/h1-3,6-7,14,19H,4-5,8-12H2,(H2,18,22)/t14-,17+/m0/s1.
What are the key properties of (2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
(2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 129048718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).