(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide

C17H24N2O2 — CID 110286101

IUPAC(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
SMILESCCCCC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-2-3-11-16(20)19-12-7-10-15(19)17(21)18-13-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyDGCWYDDRFQDDRT-HNNXBMFYSA-N
MW288.39 g/mol
LogP2.48
Rot. Bonds6

About (2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide

(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide (PubChem CID 110286101) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
PubChem CID110286101
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
SMILESCCCCC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-2-3-11-16(20)19-12-7-10-15(19)17(21)18-13-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyDGCWYDDRFQDDRT-HNNXBMFYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide
CID 110625873
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
(2S)-N-benzyl-1-[4-(4-methylphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 110305940
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
N-benzyl-1-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 110625844
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
CID 118738129
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
1-[1-(benzylcarbamoyl)pyrrolidine-2-carbonyl]-N-dodecylpyrrolidine-2-carboxamide
CID 67810807
N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
CID 110625860
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide (CID 110286101) is (2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide is CCCCC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide?
The InChIKey is DGCWYDDRFQDDRT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-3-11-16(20)19-12-7-10-15(19)17(21)18-13-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide?
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110286101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).