(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride

C5H12Cl2N2O2 — CID 11424235

IUPAC(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.N[C@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C5H10N2O2.2ClH/c6-4-2-7-1-3(4)5(8)9;;/h3-4,7H,1-2,6H2,(H,8,9);2*1H/t3-,4-;;/m0../s1
InChIKeyQAXWVSYJTFDUFI-RGVONZFCSA-N
MW203.07 g/mol
LogP-0.54
Rot. Bonds1

About (3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride

(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride (PubChem CID 11424235) has the molecular formula C5H12Cl2N2O2 and a molecular weight of 203.07 g/mol. Its IUPAC name is (3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride
PubChem CID11424235
Molecular FormulaC5H12Cl2N2O2
Molecular Weight203.07 g/mol
Exact Mass202.03
IUPAC Name(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.N[C@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C5H10N2O2.2ClH/c6-4-2-7-1-3(4)5(8)9;;/h3-4,7H,1-2,6H2,(H,8,9);2*1H/t3-,4-;;/m0../s1
InChIKeyQAXWVSYJTFDUFI-RGVONZFCSA-N
XLogP-0.54
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 ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride?
The IUPAC name of (3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride (CID 11424235) is (3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for (3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride?
The canonical SMILES for (3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride is Cl.Cl.N[C@H]1CNC[C@@H]1C(=O)O.
What is the InChIKey of (3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride?
The InChIKey is QAXWVSYJTFDUFI-RGVONZFCSA-N. The full InChI is InChI=1S/C5H10N2O2.2ClH/c6-4-2-7-1-3(4)5(8)9;;/h3-4,7H,1-2,6H2,(H,8,9);2*1H/t3-,4-;;/m0../s1.
What are the key properties of (3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride?
(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride has a molecular weight of 203.07 g/mol, XLogP of -0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 11424235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).