phenylmethoxycarbonylaminomethyl phosphate

C9H10NO6P-2 — CID 20975300

IUPACphenylmethoxycarbonylaminomethyl phosphate
SMILESO=C(NCOP(=O)([O-])[O-])OCc1ccccc1
InChIInChI=1S/C9H12NO6P/c11-9(10-7-16-17(12,13)14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)/p-2
InChIKeyJXIMXQFFSAJUJM-UHFFFAOYSA-L
MW259.15 g/mol
LogP-0.28
Rot. Bonds5

About phenylmethoxycarbonylaminomethyl phosphate

phenylmethoxycarbonylaminomethyl phosphate (PubChem CID 20975300) has the molecular formula C9H10NO6P-2 and a molecular weight of 259.15 g/mol. Its IUPAC name is phenylmethoxycarbonylaminomethyl phosphate.

Molecular Properties

Compound Namephenylmethoxycarbonylaminomethyl phosphate
PubChem CID20975300
Molecular FormulaC9H10NO6P-2
Molecular Weight259.15 g/mol
Exact Mass259.03
IUPAC Namephenylmethoxycarbonylaminomethyl phosphate
SMILESO=C(NCOP(=O)([O-])[O-])OCc1ccccc1
InChIInChI=1S/C9H12NO6P/c11-9(10-7-16-17(12,13)14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)/p-2
InChIKeyJXIMXQFFSAJUJM-UHFFFAOYSA-L
XLogP-0.28
TPSA110.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

phenylmethoxycarbonylaminomethyl carbonochloridate
CID 23599847
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
phenylmethoxycarbonylaminomethyl 2-hydroxy-2-methylpropanoate
CID 57154760
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-(2-benzamidoethyl)carbamate
CID 12715872
2-(phenylmethoxycarbonylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate
CID 154984320
[(3R,4S,5R)-3,4-dihydroxy-2-oxo-5-(phenylmethoxycarbonylamino)hexyl] phosphate
CID 135057897
benzyl N-(3-deuteriopropyl)carbamate
CID 173247351
benzyl N-[bis[(4-nitrophenyl)methoxy]phosphorylmethyl]carbamate
CID 14250016
benzyl-[2-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 11659997

Frequently Asked Questions

What is the IUPAC name of phenylmethoxycarbonylaminomethyl phosphate?
The IUPAC name of phenylmethoxycarbonylaminomethyl phosphate (CID 20975300) is phenylmethoxycarbonylaminomethyl phosphate.
What is the SMILES notation for phenylmethoxycarbonylaminomethyl phosphate?
The canonical SMILES for phenylmethoxycarbonylaminomethyl phosphate is O=C(NCOP(=O)([O-])[O-])OCc1ccccc1.
What is the InChIKey of phenylmethoxycarbonylaminomethyl phosphate?
The InChIKey is JXIMXQFFSAJUJM-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H12NO6P/c11-9(10-7-16-17(12,13)14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)/p-2.
What are the key properties of phenylmethoxycarbonylaminomethyl phosphate?
phenylmethoxycarbonylaminomethyl phosphate has a molecular weight of 259.15 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxycarbonylaminomethyl phosphate is sourced from PubChem (CID 20975300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).