(cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate

C11H22NO5P — CID 88776206

IUPAC(cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate
SMILESO=P(O)(OCC1CCCO1)ONC1CCCCC1
InChIInChI=1S/C11H22NO5P/c13-18(14,16-9-11-7-4-8-15-11)17-12-10-5-2-1-3-6-10/h10-12H,1-9H2,(H,13,14)
InChIKeyRLHYPGQNAQLSGH-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.14
Rot. Bonds6

About (cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate

(cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate (PubChem CID 88776206) has the molecular formula C11H22NO5P and a molecular weight of 279.27 g/mol. Its IUPAC name is (cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate.

Molecular Properties

Compound Name(cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate
PubChem CID88776206
Molecular FormulaC11H22NO5P
Molecular Weight279.27 g/mol
Exact Mass279.12
IUPAC Name(cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate
SMILESO=P(O)(OCC1CCCO1)ONC1CCCCC1
InChIInChI=1S/C11H22NO5P/c13-18(14,16-9-11-7-4-8-15-11)17-12-10-5-2-1-3-6-10/h10-12H,1-9H2,(H,13,14)
InChIKeyRLHYPGQNAQLSGH-UHFFFAOYSA-N
XLogP2.14
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate 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

N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
1-[(2S,3R,5S)-5-(hydroxymethyl)-2-methyloxolan-3-yl]ethenyl [(2S)-oxolan-2-yl]methyl hydrogen phosphate
CID 146510113
hydroxy-(oxolan-2-ylmethoxy)-sulfanylidene-λ4-sulfane
CID 130353876
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
oxan-2-ylmethyl 2-cyclohexyloxyacetate
CID 78888478
[2-(cyclopentylamino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 4540325
N-[2-(oxolan-2-ylmethoxy)propyl]cyclohexanamine
CID 62572342
methyl(oxolan-2-ylmethyl)phosphinic acid
CID 126657599
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
oxan-2-ylmethyl 2-amino-2-cyclohexylacetate
CID 61277423

Frequently Asked Questions

What is the IUPAC name of (cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate?
The IUPAC name of (cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate (CID 88776206) is (cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate.
What is the SMILES notation for (cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate?
The canonical SMILES for (cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate is O=P(O)(OCC1CCCO1)ONC1CCCCC1.
What is the InChIKey of (cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate?
The InChIKey is RLHYPGQNAQLSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO5P/c13-18(14,16-9-11-7-4-8-15-11)17-12-10-5-2-1-3-6-10/h10-12H,1-9H2,(H,13,14).
What are the key properties of (cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate?
(cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate has a molecular weight of 279.27 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino) oxolan-2-ylmethyl hydrogen phosphate is sourced from PubChem (CID 88776206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).