hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium

C10H13NO4P+ — CID 71351136

IUPAChydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium
SMILESO=C(NC[P+](=O)CO)OCc1ccccc1
InChIInChI=1S/C10H12NO4P/c12-8-16(14)7-11-10(13)15-6-9-4-2-1-3-5-9/h1-5,12H,6-8H2/p+1
InChIKeyBAAZCCRTLQUFGP-UHFFFAOYSA-O
MW242.19 g/mol
LogP1.65
Rot. Bonds5

About hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium

hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium (PubChem CID 71351136) has the molecular formula C10H13NO4P+ and a molecular weight of 242.19 g/mol. Its IUPAC name is hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium.

Molecular Properties

Compound Namehydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium
PubChem CID71351136
Molecular FormulaC10H13NO4P+
Molecular Weight242.19 g/mol
Exact Mass242.06
IUPAC Namehydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium
SMILESO=C(NC[P+](=O)CO)OCc1ccccc1
InChIInChI=1S/C10H12NO4P/c12-8-16(14)7-11-10(13)15-6-9-4-2-1-3-5-9/h1-5,12H,6-8H2/p+1
InChIKeyBAAZCCRTLQUFGP-UHFFFAOYSA-O
XLogP1.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium
CID 19090886
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
[(Z)-3-carboxy-3-(phenylmethoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium
CID 71087261
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate
CID 23510764
benzyl N-(3-aminopropyl)carbamate;hydron;chloride
CID 44828785
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium?
The IUPAC name of hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium (CID 71351136) is hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium.
What is the SMILES notation for hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium?
The canonical SMILES for hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium is O=C(NC[P+](=O)CO)OCc1ccccc1.
What is the InChIKey of hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium?
The InChIKey is BAAZCCRTLQUFGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12NO4P/c12-8-16(14)7-11-10(13)15-6-9-4-2-1-3-5-9/h1-5,12H,6-8H2/p+1.
What are the key properties of hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium?
hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium has a molecular weight of 242.19 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium is sourced from PubChem (CID 71351136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).