(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

C16H22N2O2 — CID 159272717

IUPAC(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@]1(Cc1ccccc1)C(N)=O
InChIInChI=1S/C16H22N2O2/c1-12(2)14(19)18-10-6-9-16(18,15(17)20)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,17,20)/t16-/m1/s1
InChIKeyKXXKCTPRBRNFEP-MRXNPFEDSA-N
MW274.36 g/mol
LogP1.73
Rot. Bonds4

About (2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 159272717) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID159272717
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@]1(Cc1ccccc1)C(N)=O
InChIInChI=1S/C16H22N2O2/c1-12(2)14(19)18-10-6-9-16(18,15(17)20)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,17,20)/t16-/m1/s1
InChIKeyKXXKCTPRBRNFEP-MRXNPFEDSA-N
XLogP1.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride
CID 67817912
(2R)-2-benzyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 129048718
1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
CID 175079605
(2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
CID 158485166
2-[benzyl-[(2R)-2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 175117440
(2S)-2-benzyl-2-carbonochloridoylpyrrolidine-1-carboxylic acid
CID 118093412
benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 158177775
[2-[[1-[1-(2-amino-3-hydroxybutanoyl)-2-benzylpyrrolidine-2-carbonyl]-2-benzylpyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]azanium
CID 152884202
(2S)-2-benzyl-1-(3,3-dimethylbutoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 71391116
benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate
CID 46884739
2-(methoxymethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 141285069
benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate
CID 156702889

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (CID 159272717) is (2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is CC(C)C(=O)N1CCC[C@@]1(Cc1ccccc1)C(N)=O.
What is the InChIKey of (2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is KXXKCTPRBRNFEP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)14(19)18-10-6-9-16(18,15(17)20)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,17,20)/t16-/m1/s1.
What are the key properties of (2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 159272717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).