2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid

C9H17NO6Si — CID 175274365

IUPAC2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid
SMILESCCCN[Si](CC(=O)O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H17NO6Si/c1-2-3-10-17(4-7(11)12,5-8(13)14)6-9(15)16/h10H,2-6H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeySJMPTEHXMXXBJM-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.19
Rot. Bonds9

About 2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid

2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid (PubChem CID 175274365) has the molecular formula C9H17NO6Si and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid.

Molecular Properties

Compound Name2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid
PubChem CID175274365
Molecular FormulaC9H17NO6Si
Molecular Weight263.32 g/mol
Exact Mass263.08
IUPAC Name2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid
SMILESCCCN[Si](CC(=O)O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H17NO6Si/c1-2-3-10-17(4-7(11)12,5-8(13)14)6-9(15)16/h10H,2-6H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeySJMPTEHXMXXBJM-UHFFFAOYSA-N
XLogP0.19
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-Aminopropyl)trimethylsilane; trifluoroacetic acid
CID 75210601
3-Aminopropyl triacetoxysilane
CID 18620375
3-(Trimethoxysilyl) propan-1-aminium acetate
CID 87499264
Acetic acid--3-(triethoxysilyl)propan-1-amine (1/1)
CID 71353054
2-[[Tert-butyl(dimethyl)silyl]amino]acetic acid
CID 15706343
Hexadeuterodimethyl-4-silapentane-1-ammoniumtrifluoroacetate
CID 46735245
Acetic acid;1-trimethoxysilylpropan-1-amine
CID 87772051
Acetic acid;3-trimethoxysilylpropan-1-amine
CID 87772052
[Acetyloxy-(1-aminoethyl)-ethylsilyl] acetate
CID 88030595
[Acetyloxy-(2-aminoethyl)-ethylsilyl] acetate
CID 88030597
[Acetyloxy-(3-aminopropyl)-methylsilyl] acetate
CID 88176467
[Diacetyloxy(1-aminopropyl)silyl] acetate
CID 88438995

Frequently Asked Questions

What is the IUPAC name of 2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid?
The IUPAC name of 2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid (CID 175274365) is 2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid.
What is the SMILES notation for 2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid?
The canonical SMILES for 2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid is CCCN[Si](CC(=O)O)(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid?
The InChIKey is SJMPTEHXMXXBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6Si/c1-2-3-10-17(4-7(11)12,5-8(13)14)6-9(15)16/h10H,2-6H2,1H3,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid?
2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid has a molecular weight of 263.32 g/mol, XLogP of 0.19, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(carboxymethyl)-(propylamino)silyl]acetic acid is sourced from PubChem (CID 175274365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).