2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid

C11H16N2O2 — CID 89077238

IUPAC2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid
SMILESCC1=C(C(C)(C)/N=C(\N)C(=O)O)CC=C1
InChIInChI=1S/C11H16N2O2/c1-7-5-4-6-8(7)11(2,3)13-9(12)10(14)15/h4-5H,6H2,1-3H3,(H2,12,13)(H,14,15)
InChIKeyZAGGEBDBXOCOOI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.48
Rot. Bonds2

About 2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid

2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid (PubChem CID 89077238) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid
PubChem CID89077238
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid
SMILESCC1=C(C(C)(C)/N=C(\N)C(=O)O)CC=C1
InChIInChI=1S/C11H16N2O2/c1-7-5-4-6-8(7)11(2,3)13-9(12)10(14)15/h4-5H,6H2,1-3H3,(H2,12,13)(H,14,15)
InChIKeyZAGGEBDBXOCOOI-UHFFFAOYSA-N
XLogP1.48
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.48
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-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid?
The IUPAC name of 2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid (CID 89077238) is 2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid?
The canonical SMILES for 2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid is CC1=C(C(C)(C)/N=C(\N)C(=O)O)CC=C1.
What is the InChIKey of 2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid?
The InChIKey is ZAGGEBDBXOCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-5-4-6-8(7)11(2,3)13-9(12)10(14)15/h4-5H,6H2,1-3H3,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid?
2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid is sourced from PubChem (CID 89077238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).