2-(ditert-butylamino)-2-iminoacetic acid

C10H20N2O2 — CID 87352369

IUPAC2-(ditert-butylamino)-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-9(2,3)12(10(4,5)6)7(11)8(13)14/h11H,1-6H3,(H,13,14)/b11-7+
InChIKeyQQECHPUEVNPQJJ-YRNVUSSQSA-N
MW200.28 g/mol
LogP1.95
Rot. Bonds

About 2-(ditert-butylamino)-2-iminoacetic acid

2-(ditert-butylamino)-2-iminoacetic acid (PubChem CID 87352369) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(ditert-butylamino)-2-iminoacetic acid.

Molecular Properties

Compound Name2-(ditert-butylamino)-2-iminoacetic acid
PubChem CID87352369
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(ditert-butylamino)-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-9(2,3)12(10(4,5)6)7(11)8(13)14/h11H,1-6H3,(H,13,14)/b11-7+
InChIKeyQQECHPUEVNPQJJ-YRNVUSSQSA-N
XLogP1.95
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ditert-butylamino)-2-iminoacetic acid?
The IUPAC name of 2-(ditert-butylamino)-2-iminoacetic acid (CID 87352369) is 2-(ditert-butylamino)-2-iminoacetic acid.
What is the SMILES notation for 2-(ditert-butylamino)-2-iminoacetic acid?
The canonical SMILES for 2-(ditert-butylamino)-2-iminoacetic acid is [H]/N=C(\C(=O)O)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-(ditert-butylamino)-2-iminoacetic acid?
The InChIKey is QQECHPUEVNPQJJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2,3)12(10(4,5)6)7(11)8(13)14/h11H,1-6H3,(H,13,14)/b11-7+.
What are the key properties of 2-(ditert-butylamino)-2-iminoacetic acid?
2-(ditert-butylamino)-2-iminoacetic acid has a molecular weight of 200.28 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ditert-butylamino)-2-iminoacetic acid is sourced from PubChem (CID 87352369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).