(2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid

C12H25NO6Si — CID 88852321

IUPAC(2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid
SMILESCCN(CCC[Si](C)(OC)OC)[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H25NO6Si/c1-5-13(10(12(16)17)9-11(14)15)7-6-8-20(4,18-2)19-3/h10H,5-9H2,1-4H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKeyJOHDSRBCZDAOOC-JTQLQIEISA-N
MW307.42 g/mol
LogP0.99
Rot. Bonds11

About (2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid

(2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid (PubChem CID 88852321) has the molecular formula C12H25NO6Si and a molecular weight of 307.42 g/mol. Its IUPAC name is (2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid.

Molecular Properties

Compound Name(2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid
PubChem CID88852321
Molecular FormulaC12H25NO6Si
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name(2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid
SMILESCCN(CCC[Si](C)(OC)OC)[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H25NO6Si/c1-5-13(10(12(16)17)9-11(14)15)7-6-8-20(4,18-2)19-3/h10H,5-9H2,1-4H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKeyJOHDSRBCZDAOOC-JTQLQIEISA-N
XLogP0.99
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid
CID 88852181
bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate
CID 88852356
4-[[(1S)-1,2-dicarboxyethyl]-ethylamino]butan-2-yl-diethoxysulfanium
CID 172785253
4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid
CID 87910081
1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol
CID 174604281
3-[ethyl(4-methoxybutyl)amino]butanoic acid
CID 104648446
2-[2-[3-[dimethoxy(methyl)silyl]propyl-propylamino]-2-oxoethoxy]-N,N-dipropylacetamide
CID 158252099
2,7-bis(diethylamino)octanedioic acid
CID 175151576
(2S)-2-[ethyl(octadecyl)amino]-4-methylsulfanylbutanoic acid
CID 150539121
3-[ethyl(3-phenylpropyl)amino]butanoic acid
CID 62826742
2-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 60981042
(2S)-2-[bis(2-carboxypropyl)amino]butanedioic acid
CID 139720141

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid?
The IUPAC name of (2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid (CID 88852321) is (2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid.
What is the SMILES notation for (2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid?
The canonical SMILES for (2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid is CCN(CCC[Si](C)(OC)OC)[C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid?
The InChIKey is JOHDSRBCZDAOOC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25NO6Si/c1-5-13(10(12(16)17)9-11(14)15)7-6-8-20(4,18-2)19-3/h10H,5-9H2,1-4H3,(H,14,15)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid?
(2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid has a molecular weight of 307.42 g/mol, XLogP of 0.99, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid is sourced from PubChem (CID 88852321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).