CID 90459779

C4H8LiO3 — CID 90459779

IUPAC—
SMILESCC(O)CC(=O)O.[Li]
InChIInChI=1S/C4H8O3.Li/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);
InChIKeyTWHAQKJCZBJUGO-UHFFFAOYSA-N
MW111.05 g/mol
LogP-0.54
Rot. Bonds2

About CID 90459779

CID 90459779 (PubChem CID 90459779) has the molecular formula C4H8LiO3 and a molecular weight of 111.05 g/mol.

Molecular Properties

Compound NameCID 90459779
PubChem CID90459779
Molecular FormulaC4H8LiO3
Molecular Weight111.05 g/mol
Exact Mass111.06
IUPAC Name—
SMILESCC(O)CC(=O)O.[Li]
InChIInChI=1S/C4H8O3.Li/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);
InChIKeyTWHAQKJCZBJUGO-UHFFFAOYSA-N
XLogP-0.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.05
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;hydride;(3S)-3-hydroxybutanoic acid
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dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid
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2,2-bis(hydroxymethyl)propane-1,3-diol;3-hydroxybutanoic acid
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butanoic acid;3-hydroxybutanoic acid
CID 131984541
2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid
CID 174846249
hexanoic acid;3-hydroxybutanoic acid
CID 174511432
3-hydroxybutanoic acid;(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid
CID 87100792
bicyclo[3.1.0]hexane;3-hydroxybutanoic acid
CID 18408223
3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid
CID 175190112
3-methylbutanoic acid
CID 20849036
(2S)-2-[[(2S)-2-hydroxypropyl]amino]butanedioic acid
CID 57178792

Frequently Asked Questions

What is the IUPAC name of CID 90459779?
The IUPAC name of CID 90459779 (CID 90459779) is not available.
What is the SMILES notation for CID 90459779?
The canonical SMILES for CID 90459779 is CC(O)CC(=O)O.[Li].
What is the InChIKey of CID 90459779?
The InChIKey is TWHAQKJCZBJUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.Li/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);.
What are the key properties of CID 90459779?
CID 90459779 has a molecular weight of 111.05 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90459779 is sourced from PubChem (CID 90459779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).