phosphanyl 2-(methylamino)benzoate

C8H10NO2P — CID 174258583

IUPACphosphanyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OP
InChIInChI=1S/C8H10NO2P/c1-9-7-5-3-2-4-6(7)8(10)11-12/h2-5,9H,12H2,1H3
InChIKeyPQSCOCVIMKQIFH-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.68
Rot. Bonds2

About phosphanyl 2-(methylamino)benzoate

phosphanyl 2-(methylamino)benzoate (PubChem CID 174258583) has the molecular formula C8H10NO2P and a molecular weight of 183.15 g/mol. Its IUPAC name is phosphanyl 2-(methylamino)benzoate.

Molecular Properties

Compound Namephosphanyl 2-(methylamino)benzoate
PubChem CID174258583
Molecular FormulaC8H10NO2P
Molecular Weight183.15 g/mol
Exact Mass183.04
IUPAC Namephosphanyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OP
InChIInChI=1S/C8H10NO2P/c1-9-7-5-3-2-4-6(7)8(10)11-12/h2-5,9H,12H2,1H3
InChIKeyPQSCOCVIMKQIFH-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
2-iodoethyl 2-(methylamino)benzoate
CID 25050917
2-oxoethyl 2-(methylamino)benzoate
CID 143044559
cyclopentyl 2-(methylamino)benzoate
CID 61278607
cyclobutyl 2-(methylamino)benzoate
CID 62217404
(4-carbamoylphenyl)methyl 2-(methylamino)benzoate
CID 18136279
cyclohexyl 2-(methylamino)benzoate
CID 61278808
(3,5-dimethylcyclohexyl) 2-(methylamino)benzoate
CID 64731834
2-propan-2-yloxyethyl 2-(methylamino)benzoate
CID 60643656
(2-chlorophenyl)methyl 2-(methylamino)benzoate
CID 895057
1-[2-(methylamino)phenyl]butane-1,3-dione
CID 23343456
(1-anilino-1-oxobutan-2-yl) 2-(methylamino)benzoate
CID 18122285

Frequently Asked Questions

What is the IUPAC name of phosphanyl 2-(methylamino)benzoate?
The IUPAC name of phosphanyl 2-(methylamino)benzoate (CID 174258583) is phosphanyl 2-(methylamino)benzoate.
What is the SMILES notation for phosphanyl 2-(methylamino)benzoate?
The canonical SMILES for phosphanyl 2-(methylamino)benzoate is CNc1ccccc1C(=O)OP.
What is the InChIKey of phosphanyl 2-(methylamino)benzoate?
The InChIKey is PQSCOCVIMKQIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2P/c1-9-7-5-3-2-4-6(7)8(10)11-12/h2-5,9H,12H2,1H3.
What are the key properties of phosphanyl 2-(methylamino)benzoate?
phosphanyl 2-(methylamino)benzoate has a molecular weight of 183.15 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2-(methylamino)benzoate is sourced from PubChem (CID 174258583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).