(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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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).