3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride

C7H14ClNO3 — CID 122163578

IUPAC3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCOCC1(C(=O)O)CCNC1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-5-7(6(9)10)2-3-8-4-7;/h8H,2-5H2,1H3,(H,9,10);1H
InChIKeyFRRSKKSTSYAXGE-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.12
Rot. Bonds3

About 3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride

3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 122163578) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID122163578
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCOCC1(C(=O)O)CCNC1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-5-7(6(9)10)2-3-8-4-7;/h8H,2-5H2,1H3,(H,9,10);1H
InChIKeyFRRSKKSTSYAXGE-UHFFFAOYSA-N
XLogP0.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-methylpyrrolidine-3-carboxylate
CID 58201304
4,4-Dimethylpyrrolidine-3-carboxylic acid hydrochloride
CID 56763825
Methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate
CID 59511362
Ethyl 3-methylpyrrolidine-3-carboxylate hydrochloride
CID 71756654
Tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate
CID 130571831
3,3-Dimethyl pyrrolidine-3,3-dicarboxylate hydrochloride
CID 145874829
3-(2,2,2-Trifluoroethoxymethyl)pyrrolidine-3-carboxylic acid
CID 106705377
3,3-Dimethyl pyrrolidine-3,3-dicarboxylate
CID 145874830
(3S,4R)-4-methoxypyrrolidine-3-carboxylic acid
CID 1516522
(R)-3-methylpyrrolidine-3-carboxylic acid
CID 1516524
(S)-3-Methyl-pyrrolidine-3-carboxylic acid
CID 1516525
3-Methyl-pyrrolidine-3-carboxylic acid
CID 3509091

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 122163578) is 3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride is COCC1(C(=O)O)CCNC1.Cl.
What is the InChIKey of 3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is FRRSKKSTSYAXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-11-5-7(6(9)10)2-3-8-4-7;/h8H,2-5H2,1H3,(H,9,10);1H.
What are the key properties of 3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 122163578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).