tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate

C7H16NO5P — CID 11493582

IUPACtert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCOP(O)O
InChIInChI=1S/C7H16NO5P/c1-7(2,3)13-6(9)8-4-5-12-14(10)11/h10-11H,4-5H2,1-3H3,(H,8,9)
InChIKeyYCLSUSYJUZWLOJ-UHFFFAOYSA-N
MW225.18 g/mol
LogP0.74
Rot. Bonds4

About tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate

tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate (PubChem CID 11493582) has the molecular formula C7H16NO5P and a molecular weight of 225.18 g/mol. Its IUPAC name is tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate
PubChem CID11493582
Molecular FormulaC7H16NO5P
Molecular Weight225.18 g/mol
Exact Mass225.08
IUPAC Nametert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCOP(O)O
InChIInChI=1S/C7H16NO5P/c1-7(2,3)13-6(9)8-4-5-12-14(10)11/h10-11H,4-5H2,1-3H3,(H,8,9)
InChIKeyYCLSUSYJUZWLOJ-UHFFFAOYSA-N
XLogP0.74
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
tert-butyl N-(2-carbamoyloxyethyl)carbamate
CID 83215599
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate
CID 130655244
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033
tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate
CID 163823990
2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 138694078
tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
CID 103658687
tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate
CID 170098120
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-(2-bromoethyl)carbamate;methane
CID 158621054

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate (CID 11493582) is tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate is CC(C)(C)OC(=O)NCCOP(O)O.
What is the InChIKey of tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate?
The InChIKey is YCLSUSYJUZWLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO5P/c1-7(2,3)13-6(9)8-4-5-12-14(10)11/h10-11H,4-5H2,1-3H3,(H,8,9).
What are the key properties of tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate?
tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate has a molecular weight of 225.18 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate is sourced from PubChem (CID 11493582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).