(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one

C10H20N2O — CID 79013338

IUPAC(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
SMILESCC1CCN(C(=O)[C@H](N)C(C)C)C1
InChIInChI=1S/C10H20N2O/c1-7(2)9(11)10(13)12-5-4-8(3)6-12/h7-9H,4-6,11H2,1-3H3/t8?,9-/m1/s1
InChIKeyUKTZCJRGKOORIH-YGPZHTELSA-N
MW184.28 g/mol
LogP0.84
Rot. Bonds2

About (2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one

(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one (PubChem CID 79013338) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
PubChem CID79013338
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
SMILESCC1CCN(C(=O)[C@H](N)C(C)C)C1
InChIInChI=1S/C10H20N2O/c1-7(2)9(11)10(13)12-5-4-8(3)6-12/h7-9H,4-6,11H2,1-3H3/t8?,9-/m1/s1
InChIKeyUKTZCJRGKOORIH-YGPZHTELSA-N
XLogP0.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 102957109
(2R)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 79011523
(2S)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 61148534
(2R)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 103942705
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79180939
2-amino-3-methyl-1-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 121226203
2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144341
(2S)-2-amino-3-methyl-1-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 66568039
1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile
CID 164650433
2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one
CID 169182421
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide
CID 77144249

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one (CID 79013338) is (2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one is CC1CCN(C(=O)[C@H](N)C(C)C)C1.
What is the InChIKey of (2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one?
The InChIKey is UKTZCJRGKOORIH-YGPZHTELSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)9(11)10(13)12-5-4-8(3)6-12/h7-9H,4-6,11H2,1-3H3/t8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one?
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 79013338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).