(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

C13H19N3O3 — CID 95132102

IUPAC(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCN(C)[C@@H](CNC(=O)[C@H]1CCC(=O)N1)c1ccco1
InChIInChI=1S/C13H19N3O3/c1-16(2)10(11-4-3-7-19-11)8-14-13(18)9-5-6-12(17)15-9/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,14,18)(H,15,17)/t9-,10+/m1/s1
InChIKeyLQDAQJNCXGLHEV-ZJUUUORDSA-N
MW265.31 g/mol
LogP0.28
Rot. Bonds5

About (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95132102) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95132102
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCN(C)[C@@H](CNC(=O)[C@H]1CCC(=O)N1)c1ccco1
InChIInChI=1S/C13H19N3O3/c1-16(2)10(11-4-3-7-19-11)8-14-13(18)9-5-6-12(17)15-9/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,14,18)(H,15,17)/t9-,10+/m1/s1
InChIKeyLQDAQJNCXGLHEV-ZJUUUORDSA-N
XLogP0.28
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide
CID 124726367
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78983486
(2R)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 104913652
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 61249232
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 122566101
N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031
N'-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 18589097
(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
CID 94172389
1-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465992
N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110462101
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 51085663

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 95132102) is (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is CN(C)[C@@H](CNC(=O)[C@H]1CCC(=O)N1)c1ccco1.
What is the InChIKey of (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LQDAQJNCXGLHEV-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16(2)10(11-4-3-7-19-11)8-14-13(18)9-5-6-12(17)15-9/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,14,18)(H,15,17)/t9-,10+/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95132102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).