3-carboxysilylpropanoic acid

C4H8O4Si — CID 150529915

IUPAC3-carboxysilylpropanoic acid
SMILESO=C(O)CC[SiH2]C(=O)O
InChIInChI=1S/C4H8O4Si/c5-3(6)1-2-9-4(7)8/h1-2,9H2,(H,5,6)(H,7,8)
InChIKeyIDPVZAZPPMFMKJ-UHFFFAOYSA-N
MW148.19 g/mol
LogP-0.27
Rot. Bonds4

About 3-carboxysilylpropanoic acid

3-carboxysilylpropanoic acid (PubChem CID 150529915) has the molecular formula C4H8O4Si and a molecular weight of 148.19 g/mol. Its IUPAC name is 3-carboxysilylpropanoic acid.

Molecular Properties

Compound Name3-carboxysilylpropanoic acid
PubChem CID150529915
Molecular FormulaC4H8O4Si
Molecular Weight148.19 g/mol
Exact Mass148.02
IUPAC Name3-carboxysilylpropanoic acid
SMILESO=C(O)CC[SiH2]C(=O)O
InChIInChI=1S/C4H8O4Si/c5-3(6)1-2-9-4(7)8/h1-2,9H2,(H,5,6)(H,7,8)
InChIKeyIDPVZAZPPMFMKJ-UHFFFAOYSA-N
XLogP-0.27
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(butanedioic acid);carbonic acid
CID 159577506
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
4-methylsilylbutanoic acid
CID 123603820
bis(butanedioic acid);hydroxylamine
CID 174855273
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;ethene
CID 87532899
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
3-(trimethylsilylmethylsilyl)propanoic acid
CID 173252611

Frequently Asked Questions

What is the IUPAC name of 3-carboxysilylpropanoic acid?
The IUPAC name of 3-carboxysilylpropanoic acid (CID 150529915) is 3-carboxysilylpropanoic acid.
What is the SMILES notation for 3-carboxysilylpropanoic acid?
The canonical SMILES for 3-carboxysilylpropanoic acid is O=C(O)CC[SiH2]C(=O)O.
What is the InChIKey of 3-carboxysilylpropanoic acid?
The InChIKey is IDPVZAZPPMFMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4Si/c5-3(6)1-2-9-4(7)8/h1-2,9H2,(H,5,6)(H,7,8).
What are the key properties of 3-carboxysilylpropanoic acid?
3-carboxysilylpropanoic acid has a molecular weight of 148.19 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxysilylpropanoic acid is sourced from PubChem (CID 150529915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).