2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate

C11H17NO6 — CID 139073882

IUPAC2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate
SMILESO=C([O-])C[NH+](CC(=O)O)C1(C(=O)O)CCCCC1
InChIInChI=1S/C11H17NO6/c13-8(14)6-12(7-9(15)16)11(10(17)18)4-2-1-3-5-11/h1-7H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyFOLCGNMPUKNAMA-UHFFFAOYSA-N
MW259.26 g/mol
LogP-2.51
Rot. Bonds6

About 2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate

2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate (PubChem CID 139073882) has the molecular formula C11H17NO6 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate.

Molecular Properties

Compound Name2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate
PubChem CID139073882
Molecular FormulaC11H17NO6
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate
SMILESO=C([O-])C[NH+](CC(=O)O)C1(C(=O)O)CCCCC1
InChIInChI=1S/C11H17NO6/c13-8(14)6-12(7-9(15)16)11(10(17)18)4-2-1-3-5-11/h1-7H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyFOLCGNMPUKNAMA-UHFFFAOYSA-N
XLogP-2.51
TPSA119.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-2.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate?
The IUPAC name of 2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate (CID 139073882) is 2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate.
What is the SMILES notation for 2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate?
The canonical SMILES for 2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate is O=C([O-])C[NH+](CC(=O)O)C1(C(=O)O)CCCCC1.
What is the InChIKey of 2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate?
The InChIKey is FOLCGNMPUKNAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6/c13-8(14)6-12(7-9(15)16)11(10(17)18)4-2-1-3-5-11/h1-7H2,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate?
2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate has a molecular weight of 259.26 g/mol, XLogP of -2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-carboxycyclohexyl)-(carboxymethyl)azaniumyl]acetate is sourced from PubChem (CID 139073882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).