tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate

C10H22NO6P — CID 134946398

IUPACtert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate
SMILESCOP(=O)(CC(O)CNC(=O)OC(C)(C)C)OC
InChIInChI=1S/C10H22NO6P/c1-10(2,3)17-9(13)11-6-8(12)7-18(14,15-4)16-5/h8,12H,6-7H2,1-5H3,(H,11,13)
InChIKeyGSKUDPKQSNCWFP-UHFFFAOYSA-N
MW283.26 g/mol
LogP1.36
Rot. Bonds6

About tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate

tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate (PubChem CID 134946398) has the molecular formula C10H22NO6P and a molecular weight of 283.26 g/mol. Its IUPAC name is tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate
PubChem CID134946398
Molecular FormulaC10H22NO6P
Molecular Weight283.26 g/mol
Exact Mass283.12
IUPAC Nametert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate
SMILESCOP(=O)(CC(O)CNC(=O)OC(C)(C)C)OC
InChIInChI=1S/C10H22NO6P/c1-10(2,3)17-9(13)11-6-8(12)7-18(14,15-4)16-5/h8,12H,6-7H2,1-5H3,(H,11,13)
InChIKeyGSKUDPKQSNCWFP-UHFFFAOYSA-N
XLogP1.36
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate (CID 134946398) is tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate is COP(=O)(CC(O)CNC(=O)OC(C)(C)C)OC.
What is the InChIKey of tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate?
The InChIKey is GSKUDPKQSNCWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO6P/c1-10(2,3)17-9(13)11-6-8(12)7-18(14,15-4)16-5/h8,12H,6-7H2,1-5H3,(H,11,13).
What are the key properties of tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate?
tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate has a molecular weight of 283.26 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate is sourced from PubChem (CID 134946398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).