(2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide

C13H21N5O2 — CID 122571974

IUPAC(2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(C)n1ccnc1CNC(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C13H21N5O2/c1-9(2)17-7-5-15-11(17)8-16-13(20)18-6-3-4-10(18)12(14)19/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,14,19)(H,16,20)/t10-/m1/s1
InChIKeyLJRYXBPRGANJNJ-SNVBAGLBSA-N
MW279.34 g/mol
LogP0.62
Rot. Bonds4

About (2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide

(2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 122571974) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID122571974
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(C)n1ccnc1CNC(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C13H21N5O2/c1-9(2)17-7-5-15-11(17)8-16-13(20)18-6-3-4-10(18)12(14)19/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,14,19)(H,16,20)/t10-/m1/s1
InChIKeyLJRYXBPRGANJNJ-SNVBAGLBSA-N
XLogP0.62
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Imidazol-1-ylbut-2-ynyl)-5-methylpyrrolidin-2-one
CID 15065554
3-(2-Imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 47164586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
(2S)-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]-2-(pentan-3-ylamino)pentanamide
CID 54585771
N1-(3-(1H-imidazol-1-yl)propyl)-N2-cyclohexyloxalamide
CID 3122124
(2S)-3,3-Dimethyl-2-(((1-methyl-1H-imidazol-2-yl)methyl)amino)-N-((1R)-1,2,2-trimethylpropyl)butanamide
CID 11851249
tert-butyl (2S)-2-(1H-imidazole-1-carbonyl)pyrrolidine-1-carboxylate
CID 14061183
Treamid
CID 86567101
N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
(5S)-3-[3-(1H-imidazol-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 7068409
N-tert-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361563
(2S)-2-(3-methylbutylamino)-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54582860

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide (CID 122571974) is (2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide is CC(C)n1ccnc1CNC(=O)N1CCC[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is LJRYXBPRGANJNJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-9(2)17-7-5-15-11(17)8-16-13(20)18-6-3-4-10(18)12(14)19/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,14,19)(H,16,20)/t10-/m1/s1.
What are the key properties of (2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 122571974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).