(2R)-1-methylpyrrolidin-1-ium-2-carboxylate

C6H11NO2 — CID 6951136

IUPAC(2R)-1-methylpyrrolidin-1-ium-2-carboxylate
SMILESC[NH+]1CCC[C@@H]1C(=O)[O-]
InChIInChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyCWLQUGTUXBXTLF-RXMQYKEDSA-N
MW129.16 g/mol
LogP-2.59
Rot. Bonds1

About (2R)-1-methylpyrrolidin-1-ium-2-carboxylate

(2R)-1-methylpyrrolidin-1-ium-2-carboxylate (PubChem CID 6951136) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2R)-1-methylpyrrolidin-1-ium-2-carboxylate.

Molecular Properties

Compound Name(2R)-1-methylpyrrolidin-1-ium-2-carboxylate
PubChem CID6951136
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2R)-1-methylpyrrolidin-1-ium-2-carboxylate
SMILESC[NH+]1CCC[C@@H]1C(=O)[O-]
InChIInChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyCWLQUGTUXBXTLF-RXMQYKEDSA-N
XLogP-2.59
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-2.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methylpiperidin-1-ium-2-carboxylate
CID 6993265
1,2-dimethylpyrrolidin-1-ium acetate
CID 171570831
(2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide
CID 7405903
1-benzylpyrrolidin-1-ium-2-carboxylate
CID 4740618
N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide
CID 24848322
2-butyl-1-methylpiperidin-1-ium acetate
CID 171570799
N-(1,3-benzodioxol-5-yl)-1-methylpyrrolidin-1-ium-2-carboxamide
CID 3466512
(2S)-1-sulfidopyrrolidin-1-ium-2-carboxylic acid
CID 139927047
1,4-dimethylpiperidin-1-ium acetate
CID 171571509
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-ium-2-carboxylate
CID 75891236
1-methyl-3-propan-2-ylimidazolidin-1-ium-2-carboxylate
CID 142550554
1-[(2S)-1-methylpiperidin-1-ium-2-yl]propan-2-one
CID 6946847

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylpyrrolidin-1-ium-2-carboxylate?
The IUPAC name of (2R)-1-methylpyrrolidin-1-ium-2-carboxylate (CID 6951136) is (2R)-1-methylpyrrolidin-1-ium-2-carboxylate.
What is the SMILES notation for (2R)-1-methylpyrrolidin-1-ium-2-carboxylate?
The canonical SMILES for (2R)-1-methylpyrrolidin-1-ium-2-carboxylate is C[NH+]1CCC[C@@H]1C(=O)[O-].
What is the InChIKey of (2R)-1-methylpyrrolidin-1-ium-2-carboxylate?
The InChIKey is CWLQUGTUXBXTLF-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (2R)-1-methylpyrrolidin-1-ium-2-carboxylate?
(2R)-1-methylpyrrolidin-1-ium-2-carboxylate has a molecular weight of 129.16 g/mol, XLogP of -2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylpyrrolidin-1-ium-2-carboxylate is sourced from PubChem (CID 6951136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).