2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid

C12H28N2O4Si2 — CID 123600488

IUPAC2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid
SMILESO=C(O)CN(CCC[SiH3])CCN(CCC[SiH3])CC(=O)O
InChIInChI=1S/C12H28N2O4Si2/c15-11(16)9-13(3-1-7-19)5-6-14(4-2-8-20)10-12(17)18/h1-10H2,19-20H3,(H,15,16)(H,17,18)
InChIKeyUJTCANXCOBAZBY-UHFFFAOYSA-N
MW320.54 g/mol
LogP-1.89
Rot. Bonds13

About 2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid

2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid (PubChem CID 123600488) has the molecular formula C12H28N2O4Si2 and a molecular weight of 320.54 g/mol. Its IUPAC name is 2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid
PubChem CID123600488
Molecular FormulaC12H28N2O4Si2
Molecular Weight320.54 g/mol
Exact Mass320.16
IUPAC Name2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid
SMILESO=C(O)CN(CCC[SiH3])CCN(CCC[SiH3])CC(=O)O
InChIInChI=1S/C12H28N2O4Si2/c15-11(16)9-13(3-1-7-19)5-6-14(4-2-8-20)10-12(17)18/h1-10H2,19-20H3,(H,15,16)(H,17,18)
InChIKeyUJTCANXCOBAZBY-UHFFFAOYSA-N
XLogP-1.89
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
Ca-DTPA
CID 86735184
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
CID 6396686
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
disodium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(3+)
CID 139596317
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;platinum(4+)
CID 73213829
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid;molecular hydrogen
CID 160537097
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
CID 131881711
CID 131881711

Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid?
The IUPAC name of 2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid (CID 123600488) is 2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid is O=C(O)CN(CCC[SiH3])CCN(CCC[SiH3])CC(=O)O.
What is the InChIKey of 2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid?
The InChIKey is UJTCANXCOBAZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O4Si2/c15-11(16)9-13(3-1-7-19)5-6-14(4-2-8-20)10-12(17)18/h1-10H2,19-20H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid?
2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid has a molecular weight of 320.54 g/mol, XLogP of -1.89, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid is sourced from PubChem (CID 123600488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).