4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid

C12H24N2O5 — CID 118664169

IUPAC4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid
SMILESCC(C)(C)NCC(=O)O.NC1(C(=O)O)CCOCC1
InChIInChI=1S/C6H11NO3.C6H13NO2/c7-6(5(8)9)1-3-10-4-2-6;1-6(2,3)7-4-5(8)9/h1-4,7H2,(H,8,9);7H,4H2,1-3H3,(H,8,9)
InChIKeyWSCCJDHMCMIAGG-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.04
Rot. Bonds3

About 4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid

4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid (PubChem CID 118664169) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid.

Molecular Properties

Compound Name4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid
PubChem CID118664169
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid
SMILESCC(C)(C)NCC(=O)O.NC1(C(=O)O)CCOCC1
InChIInChI=1S/C6H11NO3.C6H13NO2/c7-6(5(8)9)1-3-10-4-2-6;1-6(2,3)7-4-5(8)9/h1-4,7H2,(H,8,9);7H,4H2,1-3H3,(H,8,9)
InChIKeyWSCCJDHMCMIAGG-UHFFFAOYSA-N
XLogP0.04
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid 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 4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid?
The IUPAC name of 4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid (CID 118664169) is 4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid.
What is the SMILES notation for 4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid?
The canonical SMILES for 4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid is CC(C)(C)NCC(=O)O.NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid?
The InChIKey is WSCCJDHMCMIAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.C6H13NO2/c7-6(5(8)9)1-3-10-4-2-6;1-6(2,3)7-4-5(8)9/h1-4,7H2,(H,8,9);7H,4H2,1-3H3,(H,8,9).
What are the key properties of 4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid?
4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid has a molecular weight of 276.33 g/mol, XLogP of 0.04, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxane-4-carboxylic acid;2-(tert-butylamino)acetic acid is sourced from PubChem (CID 118664169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).