hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium

C11H15NO4P+ — CID 19090886

IUPAChydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium
SMILESO=C(NCCC[P+](=O)O)OCc1ccccc1
InChIInChI=1S/C11H14NO4P/c13-11(12-7-4-8-17(14)15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H-,12,13,14,15)/p+1
InChIKeySBNZPJLMEUSAEK-UHFFFAOYSA-O
MW256.22 g/mol
LogP2.04
Rot. Bonds6

About hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium

hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium (PubChem CID 19090886) has the molecular formula C11H15NO4P+ and a molecular weight of 256.22 g/mol. Its IUPAC name is hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium
PubChem CID19090886
Molecular FormulaC11H15NO4P+
Molecular Weight256.22 g/mol
Exact Mass256.07
IUPAC Namehydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium
SMILESO=C(NCCC[P+](=O)O)OCc1ccccc1
InChIInChI=1S/C11H14NO4P/c13-11(12-7-4-8-17(14)15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H-,12,13,14,15)/p+1
InChIKeySBNZPJLMEUSAEK-UHFFFAOYSA-O
XLogP2.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-(3-aminopropyl)carbamate;hydron;chloride
CID 44828785
benzyl N-(5-aminooxypentyl)carbamate;hydrochloride
CID 165436022
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-(8-bromooctyl)carbamate
CID 86200547
benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate
CID 168763212
hydroxy-oxo-[2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethyl]phosphanium
CID 57082591
benzyl N-[4-(4-aminobutylamino)butyl]carbamate
CID 155065832
hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium
CID 71351136
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(4-isocyanobutyl)carbamate
CID 66524029

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium?
The IUPAC name of hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium (CID 19090886) is hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium.
What is the SMILES notation for hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium?
The canonical SMILES for hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium is O=C(NCCC[P+](=O)O)OCc1ccccc1.
What is the InChIKey of hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium?
The InChIKey is SBNZPJLMEUSAEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14NO4P/c13-11(12-7-4-8-17(14)15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H-,12,13,14,15)/p+1.
What are the key properties of hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium?
hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium has a molecular weight of 256.22 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium is sourced from PubChem (CID 19090886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).