[4-[(2-aminoacetyl)amino]cyclohexyl] nitrate

C8H15N3O4 — CID 14799039

IUPAC[4-[(2-aminoacetyl)amino]cyclohexyl] nitrate
SMILESNCC(=O)NC1CCC(O[N+](=O)[O-])CC1
InChIInChI=1S/C8H15N3O4/c9-5-8(12)10-6-1-3-7(4-2-6)15-11(13)14/h6-7H,1-5,9H2,(H,10,12)
InChIKeyCRIHROPOXWKXBV-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.42
Rot. Bonds4

About [4-[(2-aminoacetyl)amino]cyclohexyl] nitrate

[4-[(2-aminoacetyl)amino]cyclohexyl] nitrate (PubChem CID 14799039) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is [4-[(2-aminoacetyl)amino]cyclohexyl] nitrate.

Molecular Properties

Compound Name[4-[(2-aminoacetyl)amino]cyclohexyl] nitrate
PubChem CID14799039
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name[4-[(2-aminoacetyl)amino]cyclohexyl] nitrate
SMILESNCC(=O)NC1CCC(O[N+](=O)[O-])CC1
InChIInChI=1S/C8H15N3O4/c9-5-8(12)10-6-1-3-7(4-2-6)15-11(13)14/h6-7H,1-5,9H2,(H,10,12)
InChIKeyCRIHROPOXWKXBV-UHFFFAOYSA-N
XLogP-0.42
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[(2-aminoacetyl)amino]cyclohexyl] nitrate 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 [4-[(2-aminoacetyl)amino]cyclohexyl] nitrate?
The IUPAC name of [4-[(2-aminoacetyl)amino]cyclohexyl] nitrate (CID 14799039) is [4-[(2-aminoacetyl)amino]cyclohexyl] nitrate.
What is the SMILES notation for [4-[(2-aminoacetyl)amino]cyclohexyl] nitrate?
The canonical SMILES for [4-[(2-aminoacetyl)amino]cyclohexyl] nitrate is NCC(=O)NC1CCC(O[N+](=O)[O-])CC1.
What is the InChIKey of [4-[(2-aminoacetyl)amino]cyclohexyl] nitrate?
The InChIKey is CRIHROPOXWKXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c9-5-8(12)10-6-1-3-7(4-2-6)15-11(13)14/h6-7H,1-5,9H2,(H,10,12).
What are the key properties of [4-[(2-aminoacetyl)amino]cyclohexyl] nitrate?
[4-[(2-aminoacetyl)amino]cyclohexyl] nitrate has a molecular weight of 217.22 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-aminoacetyl)amino]cyclohexyl] nitrate is sourced from PubChem (CID 14799039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).