2-iminocyclopentane-1-carboxylic acid

C6H9NO2 — CID 57162899

IUPAC2-iminocyclopentane-1-carboxylic acid
SMILES[H]/N=C1\CCCC1C(=O)O
InChIInChI=1S/C6H9NO2/c7-5-3-1-2-4(5)6(8)9/h4,7H,1-3H2,(H,8,9)/b7-5+
InChIKeyUOGUQTFNZAKEMT-FNORWQNLSA-N
MW127.14 g/mol
LogP0.89
Rot. Bonds1

About 2-iminocyclopentane-1-carboxylic acid

2-iminocyclopentane-1-carboxylic acid (PubChem CID 57162899) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-iminocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-iminocyclopentane-1-carboxylic acid
PubChem CID57162899
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-iminocyclopentane-1-carboxylic acid
SMILES[H]/N=C1\CCCC1C(=O)O
InChIInChI=1S/C6H9NO2/c7-5-3-1-2-4(5)6(8)9/h4,7H,1-3H2,(H,8,9)/b7-5+
InChIKeyUOGUQTFNZAKEMT-FNORWQNLSA-N
XLogP0.89
TPSA61.15 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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iminocyclopentane-1-carboxylic acid?
The IUPAC name of 2-iminocyclopentane-1-carboxylic acid (CID 57162899) is 2-iminocyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-iminocyclopentane-1-carboxylic acid?
The canonical SMILES for 2-iminocyclopentane-1-carboxylic acid is [H]/N=C1\CCCC1C(=O)O.
What is the InChIKey of 2-iminocyclopentane-1-carboxylic acid?
The InChIKey is UOGUQTFNZAKEMT-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9NO2/c7-5-3-1-2-4(5)6(8)9/h4,7H,1-3H2,(H,8,9)/b7-5+.
What are the key properties of 2-iminocyclopentane-1-carboxylic acid?
2-iminocyclopentane-1-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminocyclopentane-1-carboxylic acid is sourced from PubChem (CID 57162899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).