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

C6H10ClNO2 — CID 12645055

IUPAC(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1C=C[C@H](C(=O)O)C1
InChIInChI=1S/C6H9NO2.ClH/c7-5-2-1-4(3-5)6(8)9;/h1-2,4-5H,3,7H2,(H,8,9);1H/t4-,5+;/m0./s1
InChIKeyJYDJHYGBXSCMJL-UYXJWNHNSA-N
MW163.60 g/mol
LogP0.40
Rot. Bonds1

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

(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride (PubChem CID 12645055) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride
PubChem CID12645055
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1C=C[C@H](C(=O)O)C1
InChIInChI=1S/C6H9NO2.ClH/c7-5-2-1-4(3-5)6(8)9;/h1-2,4-5H,3,7H2,(H,8,9);1H/t4-,5+;/m0./s1
InChIKeyJYDJHYGBXSCMJL-UYXJWNHNSA-N
XLogP0.40
TPSA63.32 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 ≤ 50.40
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 (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride?
The IUPAC name of (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride (CID 12645055) is (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride.
What is the SMILES notation for (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride?
The canonical SMILES for (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride is Cl.N[C@@H]1C=C[C@H](C(=O)O)C1.
What is the InChIKey of (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride?
The InChIKey is JYDJHYGBXSCMJL-UYXJWNHNSA-N. The full InChI is InChI=1S/C6H9NO2.ClH/c7-5-2-1-4(3-5)6(8)9;/h1-2,4-5H,3,7H2,(H,8,9);1H/t4-,5+;/m0./s1.
What are the key properties of (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride?
(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride has a molecular weight of 163.60 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 12645055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).