methyl N-dimethoxyphosphorylcarbonylcarbamate

C5H10NO6P — CID 57190698

IUPACmethyl N-dimethoxyphosphorylcarbonylcarbamate
SMILESCOC(=O)NC(=O)P(=O)(OC)OC
InChIInChI=1S/C5H10NO6P/c1-10-4(7)6-5(8)13(9,11-2)12-3/h1-3H3,(H,6,7,8)
InChIKeyGSPBNIREHVXXFA-UHFFFAOYSA-N
MW211.11 g/mol
LogP0.95
Rot. Bonds3

About methyl N-dimethoxyphosphorylcarbonylcarbamate

methyl N-dimethoxyphosphorylcarbonylcarbamate (PubChem CID 57190698) has the molecular formula C5H10NO6P and a molecular weight of 211.11 g/mol. Its IUPAC name is methyl N-dimethoxyphosphorylcarbonylcarbamate.

Molecular Properties

Compound Namemethyl N-dimethoxyphosphorylcarbonylcarbamate
PubChem CID57190698
Molecular FormulaC5H10NO6P
Molecular Weight211.11 g/mol
Exact Mass211.02
IUPAC Namemethyl N-dimethoxyphosphorylcarbonylcarbamate
SMILESCOC(=O)NC(=O)P(=O)(OC)OC
InChIInChI=1S/C5H10NO6P/c1-10-4(7)6-5(8)13(9,11-2)12-3/h1-3H3,(H,6,7,8)
InChIKeyGSPBNIREHVXXFA-UHFFFAOYSA-N
XLogP0.95
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate
CID 21415678
N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide
CID 170085376
methyl N-(2-methylpropanoyl)carbamate
CID 59279110
2-dimethoxyphosphoryl-3-methoxybuta-1,3-diene
CID 12591876
1,6-bis(dimethoxyphosphoryl)hexane-1,6-dione
CID 19008700
methyl 2-dimethoxyphosphoryl-2-iminoacetate
CID 123934254
(E)-1-dimethoxyphosphoryl-2-methylbut-2-en-1-one
CID 101018337
methyl N-[(E)-but-2-enoyl]carbamate
CID 16719385
methyl N-[(2R)-2-chloropropanoyl]carbamate
CID 7130835
1-dimethoxyphosphoryl-3-methylbut-2-en-1-one
CID 54399412
1,18-bis(dimethoxyphosphoryl)octadecane-1,18-dione
CID 19008689
diazo-dimethoxyphosphoryl-methoxymethane
CID 141352657

Frequently Asked Questions

What is the IUPAC name of methyl N-dimethoxyphosphorylcarbonylcarbamate?
The IUPAC name of methyl N-dimethoxyphosphorylcarbonylcarbamate (CID 57190698) is methyl N-dimethoxyphosphorylcarbonylcarbamate.
What is the SMILES notation for methyl N-dimethoxyphosphorylcarbonylcarbamate?
The canonical SMILES for methyl N-dimethoxyphosphorylcarbonylcarbamate is COC(=O)NC(=O)P(=O)(OC)OC.
What is the InChIKey of methyl N-dimethoxyphosphorylcarbonylcarbamate?
The InChIKey is GSPBNIREHVXXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO6P/c1-10-4(7)6-5(8)13(9,11-2)12-3/h1-3H3,(H,6,7,8).
What are the key properties of methyl N-dimethoxyphosphorylcarbonylcarbamate?
methyl N-dimethoxyphosphorylcarbonylcarbamate has a molecular weight of 211.11 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-dimethoxyphosphorylcarbonylcarbamate is sourced from PubChem (CID 57190698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).