(1-amino-2-methyl-1-oxopropan-2-yl) nitrate

C4H8N2O4 — CID 89262322

IUPAC(1-amino-2-methyl-1-oxopropan-2-yl) nitrate
SMILESCC(C)(O[N+](=O)[O-])C(N)=O
InChIInChI=1S/C4H8N2O4/c1-4(2,3(5)7)10-6(8)9/h1-2H3,(H2,5,7)
InChIKeyMUFVXFPSZRANQS-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.54
Rot. Bonds3

About (1-amino-2-methyl-1-oxopropan-2-yl) nitrate

(1-amino-2-methyl-1-oxopropan-2-yl) nitrate (PubChem CID 89262322) has the molecular formula C4H8N2O4 and a molecular weight of 148.12 g/mol. Its IUPAC name is (1-amino-2-methyl-1-oxopropan-2-yl) nitrate.

Molecular Properties

Compound Name(1-amino-2-methyl-1-oxopropan-2-yl) nitrate
PubChem CID89262322
Molecular FormulaC4H8N2O4
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Name(1-amino-2-methyl-1-oxopropan-2-yl) nitrate
SMILESCC(C)(O[N+](=O)[O-])C(N)=O
InChIInChI=1S/C4H8N2O4/c1-4(2,3(5)7)10-6(8)9/h1-2H3,(H2,5,7)
InChIKeyMUFVXFPSZRANQS-UHFFFAOYSA-N
XLogP-0.54
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methyl-1-oxopropan-2-yl) nitrate?
The IUPAC name of (1-amino-2-methyl-1-oxopropan-2-yl) nitrate (CID 89262322) is (1-amino-2-methyl-1-oxopropan-2-yl) nitrate.
What is the SMILES notation for (1-amino-2-methyl-1-oxopropan-2-yl) nitrate?
The canonical SMILES for (1-amino-2-methyl-1-oxopropan-2-yl) nitrate is CC(C)(O[N+](=O)[O-])C(N)=O.
What is the InChIKey of (1-amino-2-methyl-1-oxopropan-2-yl) nitrate?
The InChIKey is MUFVXFPSZRANQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O4/c1-4(2,3(5)7)10-6(8)9/h1-2H3,(H2,5,7).
What are the key properties of (1-amino-2-methyl-1-oxopropan-2-yl) nitrate?
(1-amino-2-methyl-1-oxopropan-2-yl) nitrate has a molecular weight of 148.12 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methyl-1-oxopropan-2-yl) nitrate is sourced from PubChem (CID 89262322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).