1-aminocyclopent-2-ene-1-carboxylic acid

C6H9NO2 — CID 22172784

IUPAC1-aminocyclopent-2-ene-1-carboxylic acid
SMILESNC1(C(=O)O)C=CCC1
InChIInChI=1S/C6H9NO2/c7-6(5(8)9)3-1-2-4-6/h1,3H,2,4,7H2,(H,8,9)
InChIKeyCDLOITPKGGWOCP-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.12
Rot. Bonds1

About 1-aminocyclopent-2-ene-1-carboxylic acid

1-aminocyclopent-2-ene-1-carboxylic acid (PubChem CID 22172784) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-aminocyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-aminocyclopent-2-ene-1-carboxylic acid
PubChem CID22172784
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-aminocyclopent-2-ene-1-carboxylic acid
SMILESNC1(C(=O)O)C=CCC1
InChIInChI=1S/C6H9NO2/c7-6(5(8)9)3-1-2-4-6/h1,3H,2,4,7H2,(H,8,9)
InChIKeyCDLOITPKGGWOCP-UHFFFAOYSA-N
XLogP0.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.12
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-aminocyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 1-aminocyclopent-2-ene-1-carboxylic acid (CID 22172784) is 1-aminocyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 1-aminocyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 1-aminocyclopent-2-ene-1-carboxylic acid is NC1(C(=O)O)C=CCC1.
What is the InChIKey of 1-aminocyclopent-2-ene-1-carboxylic acid?
The InChIKey is CDLOITPKGGWOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c7-6(5(8)9)3-1-2-4-6/h1,3H,2,4,7H2,(H,8,9).
What are the key properties of 1-aminocyclopent-2-ene-1-carboxylic acid?
1-aminocyclopent-2-ene-1-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 22172784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).