1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one

C9H16N2O3 — CID 166119362

IUPAC1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one
SMILESCC(=O)C1CC(O)CN1C(=O)C(C)N
InChIInChI=1S/C9H16N2O3/c1-5(10)9(14)11-4-7(13)3-8(11)6(2)12/h5,7-8,13H,3-4,10H2,1-2H3
InChIKeySBANKJXTBHFRPQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.12
Rot. Bonds2

About 1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one

1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one (PubChem CID 166119362) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one.

Molecular Properties

Compound Name1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one
PubChem CID166119362
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one
SMILESCC(=O)C1CC(O)CN1C(=O)C(C)N
InChIInChI=1S/C9H16N2O3/c1-5(10)9(14)11-4-7(13)3-8(11)6(2)12/h5,7-8,13H,3-4,10H2,1-2H3
InChIKeySBANKJXTBHFRPQ-UHFFFAOYSA-N
XLogP-1.12
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-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

1-(1-acetyl-4-hydroxypyrrolidin-2-yl)ethanone
CID 20687038
1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone
CID 58595355
1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60952757
[(2S,3S)-4-[(2S,4R)-2-acetyl-4-hydroxypyrrolidin-1-yl]-3-amino-4-hydroxybutan-2-yl] (2S,4S)-1-[(2S)-2-aminopropanoyl]-4-methylpyrrolidine-2-carboxylate
CID 144801453
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
methyl (2S,4R)-1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 154984807
1-[(2S)-2-amino-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158430
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113353486
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 103929460
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158610
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 168776357

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one?
The IUPAC name of 1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one (CID 166119362) is 1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one.
What is the SMILES notation for 1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one?
The canonical SMILES for 1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one is CC(=O)C1CC(O)CN1C(=O)C(C)N.
What is the InChIKey of 1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one?
The InChIKey is SBANKJXTBHFRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5(10)9(14)11-4-7(13)3-8(11)6(2)12/h5,7-8,13H,3-4,10H2,1-2H3.
What are the key properties of 1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one?
1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one has a molecular weight of 200.24 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one is sourced from PubChem (CID 166119362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).