N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide

C11H21N3O2 — CID 81487399

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C11H21N3O2/c1-7(2)11(3,6-12)14-10(16)8-4-5-9(15)13-8/h7-8H,4-6,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyMGLMVIMLTXCMJS-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.25
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 81487399) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID81487399
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C11H21N3O2/c1-7(2)11(3,6-12)14-10(16)8-4-5-9(15)13-8/h7-8H,4-6,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyMGLMVIMLTXCMJS-UHFFFAOYSA-N
XLogP-0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119608653
(2R)-N-[(2R)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 104872886
(2R)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103895358
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103933214
2-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid
CID 61261305
(2R)-N-(4-hydroxy-2-methylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103874927
N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 130609699
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
(2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide
CID 104954938
(2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
CID 103874900
N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 59525111

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide (CID 81487399) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide is CC(C)C(C)(CN)NC(=O)C1CCC(=O)N1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MGLMVIMLTXCMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7(2)11(3,6-12)14-10(16)8-4-5-9(15)13-8/h7-8H,4-6,12H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 81487399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).