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

C7H12ClNO2 — CID 68909507

IUPAC(1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride
SMILESC[C@@]1(C(=O)O)C=C[C@H](N)C1.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-7(6(9)10)3-2-5(8)4-7;/h2-3,5H,4,8H2,1H3,(H,9,10);1H/t5-,7+;/m0./s1
InChIKeyVFOJPVCHSPSKCT-VOLNJMMDSA-N
MW177.63 g/mol
LogP0.79
Rot. Bonds1

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

(1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride (PubChem CID 68909507) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is (1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride
PubChem CID68909507
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name(1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride
SMILESC[C@@]1(C(=O)O)C=C[C@H](N)C1.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-7(6(9)10)3-2-5(8)4-7;/h2-3,5H,4,8H2,1H3,(H,9,10);1H/t5-,7+;/m0./s1
InChIKeyVFOJPVCHSPSKCT-VOLNJMMDSA-N
XLogP0.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.79
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 (1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride?
The IUPAC name of (1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride (CID 68909507) is (1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride.
What is the SMILES notation for (1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride?
The canonical SMILES for (1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride is C[C@@]1(C(=O)O)C=C[C@H](N)C1.Cl.
What is the InChIKey of (1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride?
The InChIKey is VFOJPVCHSPSKCT-VOLNJMMDSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c1-7(6(9)10)3-2-5(8)4-7;/h2-3,5H,4,8H2,1H3,(H,9,10);1H/t5-,7+;/m0./s1.
What are the key properties of (1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride?
(1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-amino-1-methylcyclopent-2-ene-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 68909507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).