(1-amino-1-methyliminopropan-2-yl) acetate

C6H12N2O2 — CID 76603769

IUPAC(1-amino-1-methyliminopropan-2-yl) acetate
SMILESC/N=C(\N)C(C)OC(C)=O
InChIInChI=1S/C6H12N2O2/c1-4(6(7)8-3)10-5(2)9/h4H,1-3H3,(H2,7,8)
InChIKeyDXFZZAIDHZVQRF-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.08
Rot. Bonds2

About (1-amino-1-methyliminopropan-2-yl) acetate

(1-amino-1-methyliminopropan-2-yl) acetate (PubChem CID 76603769) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (1-amino-1-methyliminopropan-2-yl) acetate.

Molecular Properties

Compound Name(1-amino-1-methyliminopropan-2-yl) acetate
PubChem CID76603769
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(1-amino-1-methyliminopropan-2-yl) acetate
SMILESC/N=C(\N)C(C)OC(C)=O
InChIInChI=1S/C6H12N2O2/c1-4(6(7)8-3)10-5(2)9/h4H,1-3H3,(H2,7,8)
InChIKeyDXFZZAIDHZVQRF-UHFFFAOYSA-N
XLogP-0.08
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1-amino-1-methyliminopropan-2-yl) acetate?
The IUPAC name of (1-amino-1-methyliminopropan-2-yl) acetate (CID 76603769) is (1-amino-1-methyliminopropan-2-yl) acetate.
What is the SMILES notation for (1-amino-1-methyliminopropan-2-yl) acetate?
The canonical SMILES for (1-amino-1-methyliminopropan-2-yl) acetate is C/N=C(\N)C(C)OC(C)=O.
What is the InChIKey of (1-amino-1-methyliminopropan-2-yl) acetate?
The InChIKey is DXFZZAIDHZVQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(6(7)8-3)10-5(2)9/h4H,1-3H3,(H2,7,8).
What are the key properties of (1-amino-1-methyliminopropan-2-yl) acetate?
(1-amino-1-methyliminopropan-2-yl) acetate has a molecular weight of 144.17 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-methyliminopropan-2-yl) acetate is sourced from PubChem (CID 76603769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).