potassium (2S)-1-methylpyrrolidine-2-carboxylate

C6H10KNO2 — CID 169244754

IUPACpotassium (2S)-1-methylpyrrolidine-2-carboxylate
SMILESCN1CCC[C@H]1C(=O)[O-].[K+]
InChIInChI=1S/C6H11NO2.K/c1-7-4-2-3-5(7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);/q;+1/p-1/t5-;/m0./s1
InChIKeyHEARIPGJNMYJNY-JEDNCBNOSA-M
MW167.25 g/mol
LogP-4.17
Rot. Bonds1

About potassium (2S)-1-methylpyrrolidine-2-carboxylate

potassium (2S)-1-methylpyrrolidine-2-carboxylate (PubChem CID 169244754) has the molecular formula C6H10KNO2 and a molecular weight of 167.25 g/mol. Its IUPAC name is potassium (2S)-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepotassium (2S)-1-methylpyrrolidine-2-carboxylate
PubChem CID169244754
Molecular FormulaC6H10KNO2
Molecular Weight167.25 g/mol
Exact Mass167.03
IUPAC Namepotassium (2S)-1-methylpyrrolidine-2-carboxylate
SMILESCN1CCC[C@H]1C(=O)[O-].[K+]
InChIInChI=1S/C6H11NO2.K/c1-7-4-2-3-5(7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);/q;+1/p-1/t5-;/m0./s1
InChIKeyHEARIPGJNMYJNY-JEDNCBNOSA-M
XLogP-4.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 5-4.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 159643972
2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164
1-[(2S)-1-methylpyrrolidin-2-yl]butan-1-one
CID 89049382
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
(2S)-1-methylpyrrolidine-2-carbohydrazide
CID 12522151
3-methyl-1-(1-methylpyrrolidin-2-yl)but-2-en-1-one
CID 59758776
2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 115012177

Frequently Asked Questions

What is the IUPAC name of potassium (2S)-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of potassium (2S)-1-methylpyrrolidine-2-carboxylate (CID 169244754) is potassium (2S)-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for potassium (2S)-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for potassium (2S)-1-methylpyrrolidine-2-carboxylate is CN1CCC[C@H]1C(=O)[O-].[K+].
What is the InChIKey of potassium (2S)-1-methylpyrrolidine-2-carboxylate?
The InChIKey is HEARIPGJNMYJNY-JEDNCBNOSA-M. The full InChI is InChI=1S/C6H11NO2.K/c1-7-4-2-3-5(7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);/q;+1/p-1/t5-;/m0./s1.
What are the key properties of potassium (2S)-1-methylpyrrolidine-2-carboxylate?
potassium (2S)-1-methylpyrrolidine-2-carboxylate has a molecular weight of 167.25 g/mol, XLogP of -4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 169244754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).