1,4-dimethylpyrrolidine-2-carboxylic acid;ethane

C9H19NO2 — CID 169199201

IUPAC1,4-dimethylpyrrolidine-2-carboxylic acid;ethane
SMILESCC.CC1CC(C(=O)O)N(C)C1
InChIInChI=1S/C7H13NO2.C2H6/c1-5-3-6(7(9)10)8(2)4-5;1-2/h5-6H,3-4H2,1-2H3,(H,9,10);1-2H3
InChIKeyLNNZLCVJAPBXGI-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.44
Rot. Bonds1

About 1,4-dimethylpyrrolidine-2-carboxylic acid;ethane

1,4-dimethylpyrrolidine-2-carboxylic acid;ethane (PubChem CID 169199201) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1,4-dimethylpyrrolidine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name1,4-dimethylpyrrolidine-2-carboxylic acid;ethane
PubChem CID169199201
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1,4-dimethylpyrrolidine-2-carboxylic acid;ethane
SMILESCC.CC1CC(C(=O)O)N(C)C1
InChIInChI=1S/C7H13NO2.C2H6/c1-5-3-6(7(9)10)8(2)4-5;1-2/h5-6H,3-4H2,1-2H3,(H,9,10);1-2H3
InChIKeyLNNZLCVJAPBXGI-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,4-dimethylpyrrolidine-2-carboxylic acid
CID 175489667
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone
CID 59902800
1,4-dimethylpyrrolidine-2-carboxamide
CID 59689218
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202
1,6-dimethylazepane-2-carboxylic acid;ethane
CID 145183332
1-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]propan-1-one
CID 89043897
(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
CID 59097211
(2S,4R)-4-methyl-1-phenylpyrrolidine-2-carboxylic acid
CID 134397150
1-methyl-4-methylsulfonylpyrrolidine-2-carboxylic acid
CID 105460316
4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid
CID 105440635

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrrolidine-2-carboxylic acid;ethane?
The IUPAC name of 1,4-dimethylpyrrolidine-2-carboxylic acid;ethane (CID 169199201) is 1,4-dimethylpyrrolidine-2-carboxylic acid;ethane.
What is the SMILES notation for 1,4-dimethylpyrrolidine-2-carboxylic acid;ethane?
The canonical SMILES for 1,4-dimethylpyrrolidine-2-carboxylic acid;ethane is CC.CC1CC(C(=O)O)N(C)C1.
What is the InChIKey of 1,4-dimethylpyrrolidine-2-carboxylic acid;ethane?
The InChIKey is LNNZLCVJAPBXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c1-5-3-6(7(9)10)8(2)4-5;1-2/h5-6H,3-4H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of 1,4-dimethylpyrrolidine-2-carboxylic acid;ethane?
1,4-dimethylpyrrolidine-2-carboxylic acid;ethane has a molecular weight of 173.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrrolidine-2-carboxylic acid;ethane is sourced from PubChem (CID 169199201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).