N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide

C12H23N3O2 — CID 77144249

IUPACN-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C(=O)C(N)C(C)C)C1
InChIInChI=1S/C12H23N3O2/c1-8(2)11(13)12(17)15-6-5-10(7-15)14(4)9(3)16/h8,10-11H,5-7,13H2,1-4H3
InChIKeyQFIJGRBRXIJWNO-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.05
Rot. Bonds3

About N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide

N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 77144249) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID77144249
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C(=O)C(N)C(C)C)C1
InChIInChI=1S/C12H23N3O2/c1-8(2)11(13)12(17)15-6-5-10(7-15)14(4)9(3)16/h8,10-11H,5-7,13H2,1-4H3
InChIKeyQFIJGRBRXIJWNO-UHFFFAOYSA-N
XLogP0.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]-N-cyclopropylacetamide
CID 66567713
2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144341
2-amino-3-methyl-1-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 121226203
(2S)-2-amino-3-methyl-1-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 66568039
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713
(2S)-2-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 63167021
N-[1-(2-amino-3-methylbutanoyl)piperidin-4-yl]-N-cyclopropylacetamide
CID 77144284
N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide
CID 66567716
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide
CID 66567687
N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide
CID 66567701
benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 66566803

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide (CID 77144249) is N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(C(=O)C(N)C(C)C)C1.
What is the InChIKey of N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is QFIJGRBRXIJWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)11(13)12(17)15-6-5-10(7-15)14(4)9(3)16/h8,10-11H,5-7,13H2,1-4H3.
What are the key properties of N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide?
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 241.33 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 77144249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).