(2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide

C14H19N3O2 — CID 104859504

IUPAC(2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide
SMILESNCCN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C14H19N3O2/c15-8-9-17(10-11-4-2-1-3-5-11)14(19)12-6-7-13(18)16-12/h1-5,12H,6-10,15H2,(H,16,18)/t12-/m1/s1
InChIKeyWKSSFCHKZSDUHN-GFCCVEGCSA-N
MW261.32 g/mol
LogP0.25
Rot. Bonds5

About (2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 104859504) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide
PubChem CID104859504
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide
SMILESNCCN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C14H19N3O2/c15-8-9-17(10-11-4-2-1-3-5-11)14(19)12-6-7-13(18)16-12/h1-5,12H,6-10,15H2,(H,16,18)/t12-/m1/s1
InChIKeyWKSSFCHKZSDUHN-GFCCVEGCSA-N
XLogP0.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
[2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate
CID 2388907
N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477971
4-phenylbutyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 57351422
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
2-benzylsulfinylethanamine;5-oxopyrrolidine-2-carboxylic acid
CID 173448568
N-benzyl-N-[4-(cyclopropylmethoxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 87325638
(2R)-N-(3-aminopropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103807278
(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
CID 103648882
(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
CID 104913263
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide
CID 74241367

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide (CID 104859504) is (2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide is NCCN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WKSSFCHKZSDUHN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-8-9-17(10-11-4-2-1-3-5-11)14(19)12-6-7-13(18)16-12/h1-5,12H,6-10,15H2,(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 104859504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).