[4-(2-hydroxypropanoylamino)cyclohexyl] nitrate

C9H16N2O5 — CID 15133159

IUPAC[4-(2-hydroxypropanoylamino)cyclohexyl] nitrate
SMILESCC(O)C(=O)NC1CCC(O[N+](=O)[O-])CC1
InChIInChI=1S/C9H16N2O5/c1-6(12)9(13)10-7-2-4-8(5-3-7)16-11(14)15/h6-8,12H,2-5H2,1H3,(H,10,13)
InChIKeyZZFRHEKQYVMZAM-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.00
Rot. Bonds4

About [4-(2-hydroxypropanoylamino)cyclohexyl] nitrate

[4-(2-hydroxypropanoylamino)cyclohexyl] nitrate (PubChem CID 15133159) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is [4-(2-hydroxypropanoylamino)cyclohexyl] nitrate.

Molecular Properties

Compound Name[4-(2-hydroxypropanoylamino)cyclohexyl] nitrate
PubChem CID15133159
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name[4-(2-hydroxypropanoylamino)cyclohexyl] nitrate
SMILESCC(O)C(=O)NC1CCC(O[N+](=O)[O-])CC1
InChIInChI=1S/C9H16N2O5/c1-6(12)9(13)10-7-2-4-8(5-3-7)16-11(14)15/h6-8,12H,2-5H2,1H3,(H,10,13)
InChIKeyZZFRHEKQYVMZAM-UHFFFAOYSA-N
XLogP0.00
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.00
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-hydroxypropanoylamino)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

Related Compounds

[4-(2,2-dimethylpropanoylamino)cyclohexyl] nitrate
CID 15683547
(2S)-2-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 70253137
[4-[(2-aminopropanoylamino)methyl]cyclohexyl] nitrate
CID 67862459
[4-[(5-oxopyrrolidine-2-carbonyl)amino]cyclohexyl] nitrate
CID 67780997
2-hydroxy-N-(1-methylpiperidin-4-yl)propanamide
CID 115140450
(2S)-2-hydroxy-N-(3-methoxycyclobutyl)propanamide
CID 131069206
[4-(acetamidomethyl)cyclohexyl] nitrate
CID 15133129
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate
CID 145065663

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropanoylamino)cyclohexyl] nitrate?
The IUPAC name of [4-(2-hydroxypropanoylamino)cyclohexyl] nitrate (CID 15133159) is [4-(2-hydroxypropanoylamino)cyclohexyl] nitrate.
What is the SMILES notation for [4-(2-hydroxypropanoylamino)cyclohexyl] nitrate?
The canonical SMILES for [4-(2-hydroxypropanoylamino)cyclohexyl] nitrate is CC(O)C(=O)NC1CCC(O[N+](=O)[O-])CC1.
What is the InChIKey of [4-(2-hydroxypropanoylamino)cyclohexyl] nitrate?
The InChIKey is ZZFRHEKQYVMZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-6(12)9(13)10-7-2-4-8(5-3-7)16-11(14)15/h6-8,12H,2-5H2,1H3,(H,10,13).
What are the key properties of [4-(2-hydroxypropanoylamino)cyclohexyl] nitrate?
[4-(2-hydroxypropanoylamino)cyclohexyl] nitrate has a molecular weight of 232.24 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropanoylamino)cyclohexyl] nitrate is sourced from PubChem (CID 15133159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).