(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one

C9H16N2O2 — CID 59945910

IUPAC(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
SMILESCC(=O)[C@H]1CCCN1C(=O)[C@H](C)N
InChIInChI=1S/C9H16N2O2/c1-6(10)9(13)11-5-3-4-8(11)7(2)12/h6,8H,3-5,10H2,1-2H3/t6-,8+/m0/s1
InChIKeyMFYHUWOAQZAIBP-POYBYMJQSA-N
MW184.24 g/mol
LogP-0.09
Rot. Bonds2

About (2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one

(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one (PubChem CID 59945910) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
PubChem CID59945910
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
SMILESCC(=O)[C@H]1CCCN1C(=O)[C@H](C)N
InChIInChI=1S/C9H16N2O2/c1-6(10)9(13)11-5-3-4-8(11)7(2)12/h6,8H,3-5,10H2,1-2H3/t6-,8+/m0/s1
InChIKeyMFYHUWOAQZAIBP-POYBYMJQSA-N
XLogP-0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 12718469
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
(2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide
CID 54355584
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442
2-amino-1-(2-cyclopropylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 130978633
1-[(2S)-2-acetylpyrrolidin-1-yl]propane-1,2-dione
CID 59063523

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one?
The IUPAC name of (2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one (CID 59945910) is (2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one.
What is the SMILES notation for (2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one?
The canonical SMILES for (2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one is CC(=O)[C@H]1CCCN1C(=O)[C@H](C)N.
What is the InChIKey of (2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one?
The InChIKey is MFYHUWOAQZAIBP-POYBYMJQSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(10)9(13)11-5-3-4-8(11)7(2)12/h6,8H,3-5,10H2,1-2H3/t6-,8+/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one?
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one has a molecular weight of 184.24 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one is sourced from PubChem (CID 59945910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).