(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid

C7H13NO5S — CID 15451704

IUPAC(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid
SMILESCS(=O)(=O)O.N[C@H]1C=C[C@@H](C(=O)O)C1
InChIInChI=1S/C6H9NO2.CH4O3S/c7-5-2-1-4(3-5)6(8)9;1-5(2,3)4/h1-2,4-5H,3,7H2,(H,8,9);1H3,(H,2,3,4)/t4-,5+;/m1./s1
InChIKeyDHYNSAAVCXUSFJ-JBUOLDKXSA-N
MW223.25 g/mol
LogP-0.52
Rot. Bonds1

About (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid

(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid (PubChem CID 15451704) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid.

Molecular Properties

Compound Name(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid
PubChem CID15451704
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Name(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid
SMILESCS(=O)(=O)O.N[C@H]1C=C[C@@H](C(=O)O)C1
InChIInChI=1S/C6H9NO2.CH4O3S/c7-5-2-1-4(3-5)6(8)9;1-5(2,3)4/h1-2,4-5H,3,7H2,(H,8,9);1H3,(H,2,3,4)/t4-,5+;/m1./s1
InChIKeyDHYNSAAVCXUSFJ-JBUOLDKXSA-N
XLogP-0.52
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid?
The IUPAC name of (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid (CID 15451704) is (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid.
What is the SMILES notation for (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid?
The canonical SMILES for (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid is CS(=O)(=O)O.N[C@H]1C=C[C@@H](C(=O)O)C1.
What is the InChIKey of (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid?
The InChIKey is DHYNSAAVCXUSFJ-JBUOLDKXSA-N. The full InChI is InChI=1S/C6H9NO2.CH4O3S/c7-5-2-1-4(3-5)6(8)9;1-5(2,3)4/h1-2,4-5H,3,7H2,(H,8,9);1H3,(H,2,3,4)/t4-,5+;/m1./s1.
What are the key properties of (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid?
(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid has a molecular weight of 223.25 g/mol, XLogP of -0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;methanesulfonic acid is sourced from PubChem (CID 15451704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).