(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride

C7H14ClNO3 — CID 66986168

IUPAC(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCO[C@@H]1C[C@H](C(=O)O)N(C)C1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-8-4-5(11-2)3-6(8)7(9)10;/h5-6H,3-4H2,1-2H3,(H,9,10);1H/t5-,6-;/m1./s1
InChIKeyHBOAHGNESDTECM-KGZKBUQUSA-N
MW195.65 g/mol
LogP0.21
Rot. Bonds2

About (2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride

(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 66986168) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is (2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID66986168
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCO[C@@H]1C[C@H](C(=O)O)N(C)C1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-8-4-5(11-2)3-6(8)7(9)10;/h5-6H,3-4H2,1-2H3,(H,9,10);1H/t5-,6-;/m1./s1
InChIKeyHBOAHGNESDTECM-KGZKBUQUSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-acetyloxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67766306
(2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid
CID 170367502
(2S,4R)-4-methoxy-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 53487433
(2S,4S)-1-methyl-4-phenoxypyrrolidine-2-carboxylic acid
CID 58778842
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202
(2S,4R)-1-methyl-4-methylsulfanylcarbothioyloxypyrrolidine-2-carboxylic acid
CID 89433448
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R)-1,4-dimethylpyrrolidine-2-carboxylic acid
CID 175489667
1-methyl-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 20692683
(2R,4S)-4-methoxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 93310397
(2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid
CID 121230981

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride (CID 66986168) is (2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride is CO[C@@H]1C[C@H](C(=O)O)N(C)C1.Cl.
What is the InChIKey of (2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is HBOAHGNESDTECM-KGZKBUQUSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-8-4-5(11-2)3-6(8)7(9)10;/h5-6H,3-4H2,1-2H3,(H,9,10);1H/t5-,6-;/m1./s1.
What are the key properties of (2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride?
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 66986168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).