(1-carboxycyclopentyl)azanium

C6H12NO2+ — CID 5231727

IUPAC(1-carboxycyclopentyl)azanium
SMILES[NH3+]C1(C(=O)O)CCCC1
InChIInChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)/p+1
InChIKeyNILQLFBWTXNUOE-UHFFFAOYSA-O
MW130.17 g/mol
LogP-0.37
Rot. Bonds1

About (1-carboxycyclopentyl)azanium

(1-carboxycyclopentyl)azanium (PubChem CID 5231727) has the molecular formula C6H12NO2+ and a molecular weight of 130.17 g/mol. Its IUPAC name is (1-carboxycyclopentyl)azanium.

Molecular Properties

Compound Name(1-carboxycyclopentyl)azanium
PubChem CID5231727
Molecular FormulaC6H12NO2+
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(1-carboxycyclopentyl)azanium
SMILES[NH3+]C1(C(=O)O)CCCC1
InChIInChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)/p+1
InChIKeyNILQLFBWTXNUOE-UHFFFAOYSA-O
XLogP-0.37
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-carboxycyclopentyl)azanium?
The IUPAC name of (1-carboxycyclopentyl)azanium (CID 5231727) is (1-carboxycyclopentyl)azanium.
What is the SMILES notation for (1-carboxycyclopentyl)azanium?
The canonical SMILES for (1-carboxycyclopentyl)azanium is [NH3+]C1(C(=O)O)CCCC1.
What is the InChIKey of (1-carboxycyclopentyl)azanium?
The InChIKey is NILQLFBWTXNUOE-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)/p+1.
What are the key properties of (1-carboxycyclopentyl)azanium?
(1-carboxycyclopentyl)azanium has a molecular weight of 130.17 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxycyclopentyl)azanium is sourced from PubChem (CID 5231727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).