(2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride

C6H10ClNO2 — CID 45262144

IUPAC(2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride
SMILESC=C1CN[C@H](C(=O)O)C1.Cl
InChIInChI=1S/C6H9NO2.ClH/c1-4-2-5(6(8)9)7-3-4;/h5,7H,1-3H2,(H,8,9);1H/t5-;/m0./s1
InChIKeyRNJMREZPKRJXJI-JEDNCBNOSA-N
MW163.60 g/mol
LogP0.41
Rot. Bonds1

About (2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride

(2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 45262144) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is (2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID45262144
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name(2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride
SMILESC=C1CN[C@H](C(=O)O)C1.Cl
InChIInChI=1S/C6H9NO2.ClH/c1-4-2-5(6(8)9)7-3-4;/h5,7H,1-3H2,(H,8,9);1H/t5-;/m0./s1
InChIKeyRNJMREZPKRJXJI-JEDNCBNOSA-N
XLogP0.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride (CID 45262144) is (2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride is C=C1CN[C@H](C(=O)O)C1.Cl.
What is the InChIKey of (2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is RNJMREZPKRJXJI-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H9NO2.ClH/c1-4-2-5(6(8)9)7-3-4;/h5,7H,1-3H2,(H,8,9);1H/t5-;/m0./s1.
What are the key properties of (2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride?
(2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 163.60 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylidenepyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 45262144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).