methyl(phosphonocarbonyl)carbamic acid

C3H6NO6P — CID 20520090

IUPACmethyl(phosphonocarbonyl)carbamic acid
SMILESCN(C(=O)O)C(=O)P(=O)(O)O
InChIInChI=1S/C3H6NO6P/c1-4(2(5)6)3(7)11(8,9)10/h1H3,(H,5,6)(H2,8,9,10)
InChIKeyFULZJQGLQTYSGG-UHFFFAOYSA-N
MW183.06 g/mol
LogP-0.11
Rot. Bonds1

About methyl(phosphonocarbonyl)carbamic acid

methyl(phosphonocarbonyl)carbamic acid (PubChem CID 20520090) has the molecular formula C3H6NO6P and a molecular weight of 183.06 g/mol. Its IUPAC name is methyl(phosphonocarbonyl)carbamic acid.

Molecular Properties

Compound Namemethyl(phosphonocarbonyl)carbamic acid
PubChem CID20520090
Molecular FormulaC3H6NO6P
Molecular Weight183.06 g/mol
Exact Mass182.99
IUPAC Namemethyl(phosphonocarbonyl)carbamic acid
SMILESCN(C(=O)O)C(=O)P(=O)(O)O
InChIInChI=1S/C3H6NO6P/c1-4(2(5)6)3(7)11(8,9)10/h1H3,(H,5,6)(H2,8,9,10)
InChIKeyFULZJQGLQTYSGG-UHFFFAOYSA-N
XLogP-0.11
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.06
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;cobalt;phosphoric acid
CID 174842184
carboniodidoyl(methyl)carbamic acid
CID 154533505
acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine
CID 174794391
N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid
CID 174532535
dimethylcarbamoyl(methyl)carbamic acid;hydrochloride
CID 88818109
amino(dimethylamino)phosphinic acid
CID 14226794
acetic acid;azane;phosphoric acid;zinc
CID 174918986
potassium;acetic acid;hydride;phosphoric acid
CID 173226797
dimethylcarbamic acid;ethane
CID 143338074
dimethylcarbamic acid;nickel
CID 87135907
calcium;acetic acid;hydrogen phosphate
CID 155194224
tetrasodium;acetic acid;azane;hydride;phosphoric acid
CID 173436604

Frequently Asked Questions

What is the IUPAC name of methyl(phosphonocarbonyl)carbamic acid?
The IUPAC name of methyl(phosphonocarbonyl)carbamic acid (CID 20520090) is methyl(phosphonocarbonyl)carbamic acid.
What is the SMILES notation for methyl(phosphonocarbonyl)carbamic acid?
The canonical SMILES for methyl(phosphonocarbonyl)carbamic acid is CN(C(=O)O)C(=O)P(=O)(O)O.
What is the InChIKey of methyl(phosphonocarbonyl)carbamic acid?
The InChIKey is FULZJQGLQTYSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO6P/c1-4(2(5)6)3(7)11(8,9)10/h1H3,(H,5,6)(H2,8,9,10).
What are the key properties of methyl(phosphonocarbonyl)carbamic acid?
methyl(phosphonocarbonyl)carbamic acid has a molecular weight of 183.06 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(phosphonocarbonyl)carbamic acid is sourced from PubChem (CID 20520090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).