(2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one

C12H24N2O — CID 118444601

IUPAC(2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
SMILESCC[C@@H](N)C(=O)N1CC[C@](C)(C(C)C)C1
InChIInChI=1S/C12H24N2O/c1-5-10(13)11(15)14-7-6-12(4,8-14)9(2)3/h9-10H,5-8,13H2,1-4H3/t10-,12+/m1/s1
InChIKeyCYFMNTFQXHSAES-PWSUYJOCSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds3

About (2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one

(2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one (PubChem CID 118444601) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
PubChem CID118444601
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
SMILESCC[C@@H](N)C(=O)N1CC[C@](C)(C(C)C)C1
InChIInChI=1S/C12H24N2O/c1-5-10(13)11(15)14-7-6-12(4,8-14)9(2)3/h9-10H,5-8,13H2,1-4H3/t10-,12+/m1/s1
InChIKeyCYFMNTFQXHSAES-PWSUYJOCSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one
CID 103356010
2-methyl-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444436
(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444442
(2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 118444443
(2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one
CID 104876680
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
CID 79023198
ethyl 2,2-dimethyl-3-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-3-oxopropanoate
CID 118444498
(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 112737765
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144084
(3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 118444533
(2R)-2-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]butan-1-one;hydrochloride
CID 173061405

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one (CID 118444601) is (2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one is CC[C@@H](N)C(=O)N1CC[C@](C)(C(C)C)C1.
What is the InChIKey of (2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one?
The InChIKey is CYFMNTFQXHSAES-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-10(13)11(15)14-7-6-12(4,8-14)9(2)3/h9-10H,5-8,13H2,1-4H3/t10-,12+/m1/s1.
What are the key properties of (2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one?
(2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 118444601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).