2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one

C13H21NO3 — CID 59266604

IUPAC2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one
SMILESCC(C)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C13H21NO3/c1-9(2)12(15)10-5-3-7-14(10)13(16)11-6-4-8-17-11/h9-11H,3-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyAMUQTMYPFLEMOQ-WDEREUQCSA-N
MW239.31 g/mol
LogP1.38
Rot. Bonds3

About 2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one

2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one (PubChem CID 59266604) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one
PubChem CID59266604
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one
SMILESCC(C)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C13H21NO3/c1-9(2)12(15)10-5-3-7-14(10)13(16)11-6-4-8-17-11/h9-11H,3-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyAMUQTMYPFLEMOQ-WDEREUQCSA-N
XLogP1.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-oxane-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 142318628
(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
CID 110739759
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 79030400
[2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 61410730
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid
CID 104855615
4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid
CID 104855782
[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 134379973
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119261277
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone
CID 102679333
N-methyl-1-[(2R)-oxolane-2-carbonyl]piperazine-2-carboxamide
CID 104856345
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one (CID 59266604) is 2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one is CC(C)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCO1.
What is the InChIKey of 2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one?
The InChIKey is AMUQTMYPFLEMOQ-WDEREUQCSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(2)12(15)10-5-3-7-14(10)13(16)11-6-4-8-17-11/h9-11H,3-8H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of 2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one?
2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one has a molecular weight of 239.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one is sourced from PubChem (CID 59266604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).