trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate

C11H19N2Na3O9Si — CID 90475505

IUPACtrisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate
SMILESCO[Si](CCCN(CCN(C(=O)[O-])C(=O)[O-])C(=O)[O-])(OC)OC.[Na+].[Na+].[Na+]
InChIInChI=1S/C11H22N2O9Si.3Na/c1-20-23(21-2,22-3)8-4-5-12(9(14)15)6-7-13(10(16)17)11(18)19;;;/h4-8H2,1-3H3,(H,14,15)(H,16,17)(H,18,19);;;/q;3*+1/p-3
InChIKeyROKNGIPGMZTRHW-UHFFFAOYSA-K
MW420.33 g/mol
LogP-12.10
Rot. Bonds10

About trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate

trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate (PubChem CID 90475505) has the molecular formula C11H19N2Na3O9Si and a molecular weight of 420.33 g/mol. Its IUPAC name is trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametrisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate
PubChem CID90475505
Molecular FormulaC11H19N2Na3O9Si
Molecular Weight420.33 g/mol
Exact Mass420.06
IUPAC Nametrisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate
SMILESCO[Si](CCCN(CCN(C(=O)[O-])C(=O)[O-])C(=O)[O-])(OC)OC.[Na+].[Na+].[Na+]
InChIInChI=1S/C11H22N2O9Si.3Na/c1-20-23(21-2,22-3)8-4-5-12(9(14)15)6-7-13(10(16)17)11(18)19;;;/h4-8H2,1-3H3,(H,14,15)(H,16,17)(H,18,19);;;/q;3*+1/p-3
InChIKeyROKNGIPGMZTRHW-UHFFFAOYSA-K
XLogP-12.10
TPSA154.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 5-12.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

CID 131883983
CID 131883983
2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide
CID 168863060
2-hydroxy-N,N-bis(3-trimethoxysilylpropyl)propanamide
CID 140720922
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide
CID 176815905
2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide
CID 174145597
2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 71445465
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957
2-methanidyloxyacetic acid;2-methanidyloxy-N,N-bis(3-trimethoxysilylpropyl)acetamide;bis(rutherfordium)
CID 157219113
tert-butyl(3-trimethoxysilylpropyl)carbamic acid
CID 23175203
ethyl N,N-bis[3-tris(trimethoxysilyloxy)silylpropyl]carbamate
CID 167678976

Frequently Asked Questions

What is the IUPAC name of trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate?
The IUPAC name of trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate (CID 90475505) is trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate.
What is the SMILES notation for trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate?
The canonical SMILES for trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate is CO[Si](CCCN(CCN(C(=O)[O-])C(=O)[O-])C(=O)[O-])(OC)OC.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate?
The InChIKey is ROKNGIPGMZTRHW-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H22N2O9Si.3Na/c1-20-23(21-2,22-3)8-4-5-12(9(14)15)6-7-13(10(16)17)11(18)19;;;/h4-8H2,1-3H3,(H,14,15)(H,16,17)(H,18,19);;;/q;3*+1/p-3.
What are the key properties of trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate?
trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate has a molecular weight of 420.33 g/mol, XLogP of -12.10, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate is sourced from PubChem (CID 90475505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).