4-methoxypyrrolidine-2-carboxylic acid;hydrochloride

C6H12ClNO3 — CID 77213691

IUPAC4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
SMILESCOC1CNC(C(=O)O)C1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-10-4-2-5(6(8)9)7-3-4;/h4-5,7H,2-3H2,1H3,(H,8,9);1H
InChIKeyOZLHSLSQWWKSAL-UHFFFAOYSA-N
MW181.62 g/mol
LogP-0.13
Rot. Bonds2

About 4-methoxypyrrolidine-2-carboxylic acid;hydrochloride

4-methoxypyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 77213691) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is 4-methoxypyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID77213691
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
SMILESCOC1CNC(C(=O)O)C1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-10-4-2-5(6(8)9)7-3-4;/h4-5,7H,2-3H2,1H3,(H,8,9);1H
InChIKeyOZLHSLSQWWKSAL-UHFFFAOYSA-N
XLogP-0.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxypyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-methoxypyrrolidine-2-carboxylic acid;hydrochloride (CID 77213691) is 4-methoxypyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methoxypyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methoxypyrrolidine-2-carboxylic acid;hydrochloride is COC1CNC(C(=O)O)C1.Cl.
What is the InChIKey of 4-methoxypyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is OZLHSLSQWWKSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c1-10-4-2-5(6(8)9)7-3-4;/h4-5,7H,2-3H2,1H3,(H,8,9);1H.
What are the key properties of 4-methoxypyrrolidine-2-carboxylic acid;hydrochloride?
4-methoxypyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 77213691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).