4-aminocyclopentane-1,2,4-tricarboxylic acid

C8H11NO6 — CID 4302961

IUPAC4-aminocyclopentane-1,2,4-tricarboxylic acid
SMILESNC1(C(=O)O)CC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyFERIKTBTNCSGJS-UHFFFAOYSA-N
MW217.18 g/mol
LogP-1.04
Rot. Bonds3

About 4-aminocyclopentane-1,2,4-tricarboxylic acid

4-aminocyclopentane-1,2,4-tricarboxylic acid (PubChem CID 4302961) has the molecular formula C8H11NO6 and a molecular weight of 217.18 g/mol. Its IUPAC name is 4-aminocyclopentane-1,2,4-tricarboxylic acid.

Molecular Properties

Compound Name4-aminocyclopentane-1,2,4-tricarboxylic acid
PubChem CID4302961
Molecular FormulaC8H11NO6
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Name4-aminocyclopentane-1,2,4-tricarboxylic acid
SMILESNC1(C(=O)O)CC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyFERIKTBTNCSGJS-UHFFFAOYSA-N
XLogP-1.04
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-aminocyclopentane-1,2,4-tricarboxylic acid?
The IUPAC name of 4-aminocyclopentane-1,2,4-tricarboxylic acid (CID 4302961) is 4-aminocyclopentane-1,2,4-tricarboxylic acid.
What is the SMILES notation for 4-aminocyclopentane-1,2,4-tricarboxylic acid?
The canonical SMILES for 4-aminocyclopentane-1,2,4-tricarboxylic acid is NC1(C(=O)O)CC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 4-aminocyclopentane-1,2,4-tricarboxylic acid?
The InChIKey is FERIKTBTNCSGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 4-aminocyclopentane-1,2,4-tricarboxylic acid?
4-aminocyclopentane-1,2,4-tricarboxylic acid has a molecular weight of 217.18 g/mol, XLogP of -1.04, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclopentane-1,2,4-tricarboxylic acid is sourced from PubChem (CID 4302961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).