2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone

C10H19NO4 — CID 143816508

IUPAC2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone
SMILESCC(=O)C1CCCN1C.COCC(=O)O
InChIInChI=1S/C7H13NO.C3H6O3/c1-6(9)7-4-3-5-8(7)2;1-6-2-3(4)5/h7H,3-5H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyWQAKOJLKKPSNRP-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.39
Rot. Bonds3

About 2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone

2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone (PubChem CID 143816508) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone
PubChem CID143816508
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone
SMILESCC(=O)C1CCCN1C.COCC(=O)O
InChIInChI=1S/C7H13NO.C3H6O3/c1-6(9)7-4-3-5-8(7)2;1-6-2-3(4)5/h7H,3-5H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyWQAKOJLKKPSNRP-UHFFFAOYSA-N
XLogP0.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butan-2-one;ethane;1-(1-methylpyrrolidin-2-yl)ethanone
CID 91387688
(2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone
CID 160589871
ethane;1-(1-methylpyrrolidin-2-yl)ethanone;propanal
CID 143105451
2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone
CID 143816509
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 159643972
N,N-diethyl-1-methylpyrrolidine-2-carboxamide
CID 21365849
(2R)-N-methoxy-1-methylpyrrolidine-2-carboxamide
CID 87416878

Frequently Asked Questions

What is the IUPAC name of 2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone (CID 143816508) is 2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone is CC(=O)C1CCCN1C.COCC(=O)O.
What is the InChIKey of 2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone?
The InChIKey is WQAKOJLKKPSNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C3H6O3/c1-6(9)7-4-3-5-8(7)2;1-6-2-3(4)5/h7H,3-5H2,1-2H3;2H2,1H3,(H,4,5).
What are the key properties of 2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone?
2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone has a molecular weight of 217.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 143816508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).