CID 166480351

C11H25BNO6P — CID 166480351

IUPAC—
SMILESCC.COP(=O)(O)O.[B]CC(=O)N1CCCC1COC
InChIInChI=1S/C8H14BNO2.C2H6.CH5O4P/c1-12-6-7-3-2-4-10(7)8(11)5-9;1-2;1-5-6(2,3)4/h7H,2-6H2,1H3;1-2H3;1H3,(H2,2,3,4)
InChIKeyAZJMAXWSIKNSFO-UHFFFAOYSA-N
MW309.11 g/mol
LogP0.96
Rot. Bonds4

About CID 166480351

CID 166480351 (PubChem CID 166480351) has the molecular formula C11H25BNO6P and a molecular weight of 309.11 g/mol.

Molecular Properties

Compound NameCID 166480351
PubChem CID166480351
Molecular FormulaC11H25BNO6P
Molecular Weight309.11 g/mol
Exact Mass309.15
IUPAC Name—
SMILESCC.COP(=O)(O)O.[B]CC(=O)N1CCCC1COC
InChIInChI=1S/C8H14BNO2.C2H6.CH5O4P/c1-12-6-7-3-2-4-10(7)8(11)5-9;1-2;1-5-6(2,3)4/h7H,2-6H2,1H3;1-2H3;1H3,(H2,2,3,4)
InChIKeyAZJMAXWSIKNSFO-UHFFFAOYSA-N
XLogP0.96
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 121201498
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 70853461
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 70317930
4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129359557
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
1-[2-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 83624640
ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 143059682
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
CID 178050094

Frequently Asked Questions

What is the IUPAC name of CID 166480351?
The IUPAC name of CID 166480351 (CID 166480351) is not available.
What is the SMILES notation for CID 166480351?
The canonical SMILES for CID 166480351 is CC.COP(=O)(O)O.[B]CC(=O)N1CCCC1COC.
What is the InChIKey of CID 166480351?
The InChIKey is AZJMAXWSIKNSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BNO2.C2H6.CH5O4P/c1-12-6-7-3-2-4-10(7)8(11)5-9;1-2;1-5-6(2,3)4/h7H,2-6H2,1H3;1-2H3;1H3,(H2,2,3,4).
What are the key properties of CID 166480351?
CID 166480351 has a molecular weight of 309.11 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166480351 is sourced from PubChem (CID 166480351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).