3-aminopyrrolidine-3-carboxylic acid;dihydrochloride

C5H12Cl2N2O2 — CID 11694114

IUPAC3-aminopyrrolidine-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.NC1(C(=O)O)CCNC1
InChIInChI=1S/C5H10N2O2.2ClH/c6-5(4(8)9)1-2-7-3-5;;/h7H,1-3,6H2,(H,8,9);2*1H
InChIKeyQSEXWEVETNRNPY-UHFFFAOYSA-N
MW203.07 g/mol
LogP-0.39
Rot. Bonds1

About 3-aminopyrrolidine-3-carboxylic acid;dihydrochloride

3-aminopyrrolidine-3-carboxylic acid;dihydrochloride (PubChem CID 11694114) has the molecular formula C5H12Cl2N2O2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 3-aminopyrrolidine-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name3-aminopyrrolidine-3-carboxylic acid;dihydrochloride
PubChem CID11694114
Molecular FormulaC5H12Cl2N2O2
Molecular Weight203.07 g/mol
Exact Mass202.03
IUPAC Name3-aminopyrrolidine-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.NC1(C(=O)O)CCNC1
InChIInChI=1S/C5H10N2O2.2ClH/c6-5(4(8)9)1-2-7-3-5;;/h7H,1-3,6H2,(H,8,9);2*1H
InChIKeyQSEXWEVETNRNPY-UHFFFAOYSA-N
XLogP-0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminopyrrolidine-3-carboxylic acid;dihydrochloride?
The IUPAC name of 3-aminopyrrolidine-3-carboxylic acid;dihydrochloride (CID 11694114) is 3-aminopyrrolidine-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for 3-aminopyrrolidine-3-carboxylic acid;dihydrochloride?
The canonical SMILES for 3-aminopyrrolidine-3-carboxylic acid;dihydrochloride is Cl.Cl.NC1(C(=O)O)CCNC1.
What is the InChIKey of 3-aminopyrrolidine-3-carboxylic acid;dihydrochloride?
The InChIKey is QSEXWEVETNRNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2.2ClH/c6-5(4(8)9)1-2-7-3-5;;/h7H,1-3,6H2,(H,8,9);2*1H.
What are the key properties of 3-aminopyrrolidine-3-carboxylic acid;dihydrochloride?
3-aminopyrrolidine-3-carboxylic acid;dihydrochloride has a molecular weight of 203.07 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyrrolidine-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 11694114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).