2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid

C10H24N2O5Si — CID 59561248

IUPAC2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid
SMILESCO[Si](CCCN(CCN)CC(=O)O)(OC)OC
InChIInChI=1S/C10H24N2O5Si/c1-15-18(16-2,17-3)8-4-6-12(7-5-11)9-10(13)14/h4-9,11H2,1-3H3,(H,13,14)
InChIKeyAAVYDOBIHWOJLE-UHFFFAOYSA-N
MW280.40 g/mol
LogP-0.40
Rot. Bonds11

About 2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid

2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid (PubChem CID 59561248) has the molecular formula C10H24N2O5Si and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid
PubChem CID59561248
Molecular FormulaC10H24N2O5Si
Molecular Weight280.40 g/mol
Exact Mass280.15
IUPAC Name2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid
SMILESCO[Si](CCCN(CCN)CC(=O)O)(OC)OC
InChIInChI=1S/C10H24N2O5Si/c1-15-18(16-2,17-3)8-4-6-12(7-5-11)9-10(13)14/h4-9,11H2,1-3H3,(H,13,14)
InChIKeyAAVYDOBIHWOJLE-UHFFFAOYSA-N
XLogP-0.40
TPSA94.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-aminoethyl)amino]acetic acid
CID 15523358
2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride
CID 86150620
2-[bis(3-aminopropyl)amino]acetic acid
CID 15799499
2-[bis[2-[carboxymethyl-[2-oxo-2-(3-trimethoxysilylpropylamino)ethyl]amino]ethyl]amino]acetic acid
CID 102089398
2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567
3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 151472451
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
3-[hexyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 150372013
3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 150680640
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
CID 170745110

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid?
The IUPAC name of 2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid (CID 59561248) is 2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid is CO[Si](CCCN(CCN)CC(=O)O)(OC)OC.
What is the InChIKey of 2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid?
The InChIKey is AAVYDOBIHWOJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O5Si/c1-15-18(16-2,17-3)8-4-6-12(7-5-11)9-10(13)14/h4-9,11H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid?
2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid has a molecular weight of 280.40 g/mol, XLogP of -0.40, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid is sourced from PubChem (CID 59561248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).