3-amino-2-methyl-2-nitropropan-1-ol

C4H10N2O3 — CID 55291293

IUPAC3-amino-2-methyl-2-nitropropan-1-ol
SMILESCC(CN)(CO)[N+](=O)[O-]
InChIInChI=1S/C4H10N2O3/c1-4(2-5,3-7)6(8)9/h7H,2-3,5H2,1H3
InChIKeySGVQNVZVUJYRNH-UHFFFAOYSA-N
MW134.14 g/mol
LogP-1.03
Rot. Bonds3

About 3-amino-2-methyl-2-nitropropan-1-ol

3-amino-2-methyl-2-nitropropan-1-ol (PubChem CID 55291293) has the molecular formula C4H10N2O3 and a molecular weight of 134.14 g/mol. Its IUPAC name is 3-amino-2-methyl-2-nitropropan-1-ol.

Molecular Properties

Compound Name3-amino-2-methyl-2-nitropropan-1-ol
PubChem CID55291293
Molecular FormulaC4H10N2O3
Molecular Weight134.14 g/mol
Exact Mass134.07
IUPAC Name3-amino-2-methyl-2-nitropropan-1-ol
SMILESCC(CN)(CO)[N+](=O)[O-]
InChIInChI=1S/C4H10N2O3/c1-4(2-5,3-7)6(8)9/h7H,2-3,5H2,1H3
InChIKeySGVQNVZVUJYRNH-UHFFFAOYSA-N
XLogP-1.03
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
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'}

Analyze 3-amino-2-methyl-2-nitropropan-1-ol 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 3-amino-2-methyl-2-nitropropan-1-ol?
The IUPAC name of 3-amino-2-methyl-2-nitropropan-1-ol (CID 55291293) is 3-amino-2-methyl-2-nitropropan-1-ol.
What is the SMILES notation for 3-amino-2-methyl-2-nitropropan-1-ol?
The canonical SMILES for 3-amino-2-methyl-2-nitropropan-1-ol is CC(CN)(CO)[N+](=O)[O-].
What is the InChIKey of 3-amino-2-methyl-2-nitropropan-1-ol?
The InChIKey is SGVQNVZVUJYRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3/c1-4(2-5,3-7)6(8)9/h7H,2-3,5H2,1H3.
What are the key properties of 3-amino-2-methyl-2-nitropropan-1-ol?
3-amino-2-methyl-2-nitropropan-1-ol has a molecular weight of 134.14 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-2-nitropropan-1-ol is sourced from PubChem (CID 55291293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).