1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid

C8H13NO2 — CID 167739303

IUPAC1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid
SMILESCC1=C(C)CC(N)(C(=O)O)C1
InChIInChI=1S/C8H13NO2/c1-5-3-8(9,7(10)11)4-6(5)2/h3-4,9H2,1-2H3,(H,10,11)
InChIKeySCLSHTJWBUGZKX-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.90
Rot. Bonds1

About 1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid

1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid (PubChem CID 167739303) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid
PubChem CID167739303
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid
SMILESCC1=C(C)CC(N)(C(=O)O)C1
InChIInChI=1S/C8H13NO2/c1-5-3-8(9,7(10)11)4-6(5)2/h3-4,9H2,1-2H3,(H,10,11)
InChIKeySCLSHTJWBUGZKX-UHFFFAOYSA-N
XLogP0.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.90
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 1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid (CID 167739303) is 1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid is CC1=C(C)CC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid?
The InChIKey is SCLSHTJWBUGZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-3-8(9,7(10)11)4-6(5)2/h3-4,9H2,1-2H3,(H,10,11).
What are the key properties of 1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid?
1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 167739303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).