(2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid

C5H11NO6Si — CID 175519244

IUPAC(2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)O[SiH](O)O)C(=O)O
InChIInChI=1S/C5H11NO6Si/c6-3(5(8)9)1-2-4(7)12-13(10)11/h3,10-11,13H,1-2,6H2,(H,8,9)/t3-/m0/s1
InChIKeyPPGXOFRGWYFBQY-VKHMYHEASA-N
MW209.23 g/mol
LogP-2.58
Rot. Bonds5

About (2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid

(2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid (PubChem CID 175519244) has the molecular formula C5H11NO6Si and a molecular weight of 209.23 g/mol. Its IUPAC name is (2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid
PubChem CID175519244
Molecular FormulaC5H11NO6Si
Molecular Weight209.23 g/mol
Exact Mass209.04
IUPAC Name(2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)O[SiH](O)O)C(=O)O
InChIInChI=1S/C5H11NO6Si/c6-3(5(8)9)1-2-4(7)12-13(10)11/h3,10-11,13H,1-2,6H2,(H,8,9)/t3-/m0/s1
InChIKeyPPGXOFRGWYFBQY-VKHMYHEASA-N
XLogP-2.58
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 5-2.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride
CID 173377229
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid
CID 54458839
tetrasodium;tetrakis(2-[(4S)-4-amino-4-carboxybutanoyl]oxypropanedioic acid);hydride
CID 172999198
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid
CID 87638032
(2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid
CID 87765062
(2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid
CID 175510261
2,5-diamino-5-oxopentanoic acid
CID 738
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid (CID 175519244) is (2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid is N[C@@H](CCC(=O)O[SiH](O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid?
The InChIKey is PPGXOFRGWYFBQY-VKHMYHEASA-N. The full InChI is InChI=1S/C5H11NO6Si/c6-3(5(8)9)1-2-4(7)12-13(10)11/h3,10-11,13H,1-2,6H2,(H,8,9)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid?
(2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid has a molecular weight of 209.23 g/mol, XLogP of -2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid is sourced from PubChem (CID 175519244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).