(2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid

C11H23NO5Si — CID 88852032

IUPAC(2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid
SMILESCCO[Si](C)(C)CCCN[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C11H23NO5Si/c1-4-17-18(2,3)7-5-6-12-9(11(15)16)8-10(13)14/h9,12H,4-8H2,1-3H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyLWUOMWMYKDCJTK-VIFPVBQESA-N
MW277.39 g/mol
LogP1.14
Rot. Bonds10

About (2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid

(2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid (PubChem CID 88852032) has the molecular formula C11H23NO5Si and a molecular weight of 277.39 g/mol. Its IUPAC name is (2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid.

Molecular Properties

Compound Name(2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid
PubChem CID88852032
Molecular FormulaC11H23NO5Si
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name(2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid
SMILESCCO[Si](C)(C)CCCN[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C11H23NO5Si/c1-4-17-18(2,3)7-5-6-12-9(11(15)16)8-10(13)14/h9,12H,4-8H2,1-3H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyLWUOMWMYKDCJTK-VIFPVBQESA-N
XLogP1.14
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-trimethoxysilylpropylamino)butanedioic acid
CID 87235100
2-(decylamino)butanedioic acid
CID 11162902
2-(dodecylamino)butanedioic acid;hydrochloride
CID 174594620
(2S)-2-[6-(methylamino)hexylamino]butanedioic acid
CID 131850258
2-[[5-(1,2-dicarboxyethylamino)-6-ethoxy-6-oxohexyl]amino]butanedioic acid
CID 121395507
methyl 2-[3-[ethoxy(dimethyl)silyl]propylamino]-2-oxoacetate
CID 175715117
(2S)-2-(5-aminopentylamino)butanedioic acid
CID 122552658
(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
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid?
The IUPAC name of (2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid (CID 88852032) is (2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid.
What is the SMILES notation for (2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid?
The canonical SMILES for (2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid is CCO[Si](C)(C)CCCN[C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid?
The InChIKey is LWUOMWMYKDCJTK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23NO5Si/c1-4-17-18(2,3)7-5-6-12-9(11(15)16)8-10(13)14/h9,12H,4-8H2,1-3H3,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid?
(2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid has a molecular weight of 277.39 g/mol, XLogP of 1.14, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[ethoxy(dimethyl)silyl]propylamino]butanedioic acid is sourced from PubChem (CID 88852032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).