(2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid

C10H21NO7Si — CID 87235100

IUPAC(2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid
SMILESCO[Si](CCCN[C@@H](CC(=O)O)C(=O)O)(OC)OC
InChIInChI=1S/C10H21NO7Si/c1-16-19(17-2,18-3)6-4-5-11-8(10(14)15)7-9(12)13/h8,11H,4-7H2,1-3H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyDBUOTWAGHJHKQL-QMMMGPOBSA-N
MW295.36 g/mol
LogP-0.23
Rot. Bonds11

About (2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid

(2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid (PubChem CID 87235100) has the molecular formula C10H21NO7Si and a molecular weight of 295.36 g/mol. Its IUPAC name is (2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid.

Molecular Properties

Compound Name(2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid
PubChem CID87235100
Molecular FormulaC10H21NO7Si
Molecular Weight295.36 g/mol
Exact Mass295.11
IUPAC Name(2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid
SMILESCO[Si](CCCN[C@@H](CC(=O)O)C(=O)O)(OC)OC
InChIInChI=1S/C10H21NO7Si/c1-16-19(17-2,18-3)6-4-5-11-8(10(14)15)7-9(12)13/h8,11H,4-7H2,1-3H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyDBUOTWAGHJHKQL-QMMMGPOBSA-N
XLogP-0.23
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid
CID 88852032
dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate
CID 19598212
(2S)-2-[6-(methylamino)hexylamino]butanedioic acid
CID 131850258
2-(decylamino)butanedioic acid
CID 11162902
(2S)-2-(5-aminopentylamino)butanedioic acid
CID 122552658
2-(dodecylamino)butanedioic acid;hydrochloride
CID 174594620
(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride
CID 171935544
disodium;bis(2-aminoethanol);(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid
CID 134693657
methyl 2-(3-trimethoxysilylpropylamino)propanoate
CID 90838923
(3S)-3-(butylamino)-4-methoxy-4-oxobutanoic acid
CID 87886758
3-(butylamino)-4-methoxy-4-oxobutanoic acid
CID 174535168
2-[[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]butanedioic acid
CID 155253256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid?
The IUPAC name of (2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid (CID 87235100) is (2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid.
What is the SMILES notation for (2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid?
The canonical SMILES for (2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid is CO[Si](CCCN[C@@H](CC(=O)O)C(=O)O)(OC)OC.
What is the InChIKey of (2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid?
The InChIKey is DBUOTWAGHJHKQL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO7Si/c1-16-19(17-2,18-3)6-4-5-11-8(10(14)15)7-9(12)13/h8,11H,4-7H2,1-3H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid?
(2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid has a molecular weight of 295.36 g/mol, XLogP of -0.23, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid is sourced from PubChem (CID 87235100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).