[(4-methylphenyl)carbamoylamino]methylphosphonic acid

C9H13N2O4P — CID 159634843

IUPAC[(4-methylphenyl)carbamoylamino]methylphosphonic acid
SMILESCc1ccc(NC(=O)NCP(=O)(O)O)cc1
InChIInChI=1S/C9H13N2O4P/c1-7-2-4-8(5-3-7)11-9(12)10-6-16(13,14)15/h2-5H,6H2,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKeyMPPKIWDCOBWJTH-UHFFFAOYSA-N
MW244.19 g/mol
LogP1.25
Rot. Bonds3

About [(4-methylphenyl)carbamoylamino]methylphosphonic acid

[(4-methylphenyl)carbamoylamino]methylphosphonic acid (PubChem CID 159634843) has the molecular formula C9H13N2O4P and a molecular weight of 244.19 g/mol. Its IUPAC name is [(4-methylphenyl)carbamoylamino]methylphosphonic acid.

Molecular Properties

Compound Name[(4-methylphenyl)carbamoylamino]methylphosphonic acid
PubChem CID159634843
Molecular FormulaC9H13N2O4P
Molecular Weight244.19 g/mol
Exact Mass244.06
IUPAC Name[(4-methylphenyl)carbamoylamino]methylphosphonic acid
SMILESCc1ccc(NC(=O)NCP(=O)(O)O)cc1
InChIInChI=1S/C9H13N2O4P/c1-7-2-4-8(5-3-7)11-9(12)10-6-16(13,14)15/h2-5H,6H2,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKeyMPPKIWDCOBWJTH-UHFFFAOYSA-N
XLogP1.25
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
CID 15490432
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea
CID 115640170
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 134003780
1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea
CID 67763936
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
N-tert-butyl-2-[(4-methylphenyl)carbamoylamino]acetamide
CID 17432752

Frequently Asked Questions

What is the IUPAC name of [(4-methylphenyl)carbamoylamino]methylphosphonic acid?
The IUPAC name of [(4-methylphenyl)carbamoylamino]methylphosphonic acid (CID 159634843) is [(4-methylphenyl)carbamoylamino]methylphosphonic acid.
What is the SMILES notation for [(4-methylphenyl)carbamoylamino]methylphosphonic acid?
The canonical SMILES for [(4-methylphenyl)carbamoylamino]methylphosphonic acid is Cc1ccc(NC(=O)NCP(=O)(O)O)cc1.
What is the InChIKey of [(4-methylphenyl)carbamoylamino]methylphosphonic acid?
The InChIKey is MPPKIWDCOBWJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O4P/c1-7-2-4-8(5-3-7)11-9(12)10-6-16(13,14)15/h2-5H,6H2,1H3,(H2,10,11,12)(H2,13,14,15).
What are the key properties of [(4-methylphenyl)carbamoylamino]methylphosphonic acid?
[(4-methylphenyl)carbamoylamino]methylphosphonic acid has a molecular weight of 244.19 g/mol, XLogP of 1.25, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylphenyl)carbamoylamino]methylphosphonic acid is sourced from PubChem (CID 159634843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).