butanoic acid;2,3-dihydroxypropanoic acid

C7H14O6 — CID 161118248

IUPACbutanoic acid;2,3-dihydroxypropanoic acid
SMILESCCCC(=O)O.O=C(O)C(O)CO
InChIInChI=1S/C4H8O2.C3H6O4/c1-2-3-4(5)6;4-1-2(5)3(6)7/h2-3H2,1H3,(H,5,6);2,4-5H,1H2,(H,6,7)
InChIKeyUKPKITOEJCTXDI-UHFFFAOYSA-N
MW194.18 g/mol
LogP-0.70
Rot. Bonds4

About butanoic acid;2,3-dihydroxypropanoic acid

butanoic acid;2,3-dihydroxypropanoic acid (PubChem CID 161118248) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is butanoic acid;2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Namebutanoic acid;2,3-dihydroxypropanoic acid
PubChem CID161118248
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Namebutanoic acid;2,3-dihydroxypropanoic acid
SMILESCCCC(=O)O.O=C(O)C(O)CO
InChIInChI=1S/C4H8O2.C3H6O4/c1-2-3-4(5)6;4-1-2(5)3(6)7/h2-3H2,1H3,(H,5,6);2,4-5H,1H2,(H,6,7)
InChIKeyUKPKITOEJCTXDI-UHFFFAOYSA-N
XLogP-0.70
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid
CID 87631313
2,3-dihydroxypropanoic acid
CID 175601105
2,3-dihydroxypropanoic acid;2-hydroxyacetic acid
CID 135323776
butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 122613100
magnesium;butanoic acid;hydride;propane-1,2,3-triol
CID 175320082
butanoic acid;(2R,4S)-pentane-1,2,3,4,5-pentol
CID 87746367
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 156591905
CID 156591905
CID 131873477
CID 131873477
CID 158303129
CID 158303129
butanoic acid;2-methylpropanoic acid
CID 87150327

Frequently Asked Questions

What is the IUPAC name of butanoic acid;2,3-dihydroxypropanoic acid?
The IUPAC name of butanoic acid;2,3-dihydroxypropanoic acid (CID 161118248) is butanoic acid;2,3-dihydroxypropanoic acid.
What is the SMILES notation for butanoic acid;2,3-dihydroxypropanoic acid?
The canonical SMILES for butanoic acid;2,3-dihydroxypropanoic acid is CCCC(=O)O.O=C(O)C(O)CO.
What is the InChIKey of butanoic acid;2,3-dihydroxypropanoic acid?
The InChIKey is UKPKITOEJCTXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H6O4/c1-2-3-4(5)6;4-1-2(5)3(6)7/h2-3H2,1H3,(H,5,6);2,4-5H,1H2,(H,6,7).
What are the key properties of butanoic acid;2,3-dihydroxypropanoic acid?
butanoic acid;2,3-dihydroxypropanoic acid has a molecular weight of 194.18 g/mol, XLogP of -0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;2,3-dihydroxypropanoic acid is sourced from PubChem (CID 161118248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).