3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid

C10H18N2O4S — CID 140895532

IUPAC3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid
SMILESNC1CCN(C(=O)C2CCC(S(=O)(=O)O)C2)C1
InChIInChI=1S/C10H18N2O4S/c11-8-3-4-12(6-8)10(13)7-1-2-9(5-7)17(14,15)16/h7-9H,1-6,11H2,(H,14,15,16)
InChIKeyHDIYKAQKBZZPHN-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.40
Rot. Bonds2

About 3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid

3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid (PubChem CID 140895532) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid.

Molecular Properties

Compound Name3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid
PubChem CID140895532
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid
SMILESNC1CCN(C(=O)C2CCC(S(=O)(=O)O)C2)C1
InChIInChI=1S/C10H18N2O4S/c11-8-3-4-12(6-8)10(13)7-1-2-9(5-7)17(14,15)16/h7-9H,1-6,11H2,(H,14,15,16)
InChIKeyHDIYKAQKBZZPHN-UHFFFAOYSA-N
XLogP-0.40
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid?
The IUPAC name of 3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid (CID 140895532) is 3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid.
What is the SMILES notation for 3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid?
The canonical SMILES for 3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid is NC1CCN(C(=O)C2CCC(S(=O)(=O)O)C2)C1.
What is the InChIKey of 3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid?
The InChIKey is HDIYKAQKBZZPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c11-8-3-4-12(6-8)10(13)7-1-2-9(5-7)17(14,15)16/h7-9H,1-6,11H2,(H,14,15,16).
What are the key properties of 3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid?
3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid has a molecular weight of 262.33 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrrolidine-1-carbonyl)cyclopentane-1-sulfonic acid is sourced from PubChem (CID 140895532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).