(3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C19H25N3O3 — CID 94134558

IUPAC(3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)CN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CCCC1
InChIInChI=1S/C19H25N3O3/c20-17(23)13-22(16-8-4-5-9-16)19(25)15-10-18(24)21(12-15)11-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H2,20,23)/t15-/m0/s1
InChIKeyFPKIKHKGTVJFAA-HNNXBMFYSA-N
MW343.43 g/mol
LogP1.29
Rot. Bonds6

About (3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 94134558) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID94134558
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)CN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CCCC1
InChIInChI=1S/C19H25N3O3/c20-17(23)13-22(16-8-4-5-9-16)19(25)15-10-18(24)21(12-15)11-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H2,20,23)/t15-/m0/s1
InChIKeyFPKIKHKGTVJFAA-HNNXBMFYSA-N
XLogP1.29
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dibenzyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 75981218
2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 119211110
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
N-[2-(aminomethyl)cyclopentyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119602492
1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 119137735
(3R)-1-benzyl-N-[(1S,2S)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 51671621
(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
CID 10490446
(3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-benzyl-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 126417555
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
1-[[4-(aminomethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691470
(3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 129419133
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 94134558) is (3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide is NC(=O)CN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CCCC1.
What is the InChIKey of (3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FPKIKHKGTVJFAA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O3/c20-17(23)13-22(16-8-4-5-9-16)19(25)15-10-18(24)21(12-15)11-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H2,20,23)/t15-/m0/s1.
What are the key properties of (3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-amino-2-oxoethyl)-1-benzyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94134558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).