butanoic acid;3-hydroxypropanoic acid

C7H14O5 — CID 87339228

IUPACbutanoic acid;3-hydroxypropanoic acid
SMILESCCCC(=O)O.O=C(O)CCO
InChIInChI=1S/C4H8O2.C3H6O3/c1-2-3-4(5)6;4-2-1-3(5)6/h2-3H2,1H3,(H,5,6);4H,1-2H2,(H,5,6)
InChIKeyXCXRMXFLCTXMEG-UHFFFAOYSA-N
MW178.18 g/mol
LogP0.32
Rot. Bonds4

About butanoic acid;3-hydroxypropanoic acid

butanoic acid;3-hydroxypropanoic acid (PubChem CID 87339228) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is butanoic acid;3-hydroxypropanoic acid.

Molecular Properties

Compound Namebutanoic acid;3-hydroxypropanoic acid
PubChem CID87339228
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Namebutanoic acid;3-hydroxypropanoic acid
SMILESCCCC(=O)O.O=C(O)CCO
InChIInChI=1S/C4H8O2.C3H6O3/c1-2-3-4(5)6;4-2-1-3(5)6/h2-3H2,1H3,(H,5,6);4H,1-2H2,(H,5,6)
InChIKeyXCXRMXFLCTXMEG-UHFFFAOYSA-N
XLogP0.32
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

butane;3-hydroxypropanoic acid
CID 87992662
butane-1,4-diol;butanoic acid
CID 86642179
butanoic acid;dihydrochloride
CID 173423767
butanoic acid;heptahydrofluoride
CID 172757824
dialuminum;butanoic acid
CID 175897781
butanoic acid;zirconium
CID 87090666
butanoic acid;mercury
CID 87059277
CID 87408506
CID 87408506
butanoic acid;copper
CID 57425269
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491
CID 88693438
CID 88693438

Frequently Asked Questions

What is the IUPAC name of butanoic acid;3-hydroxypropanoic acid?
The IUPAC name of butanoic acid;3-hydroxypropanoic acid (CID 87339228) is butanoic acid;3-hydroxypropanoic acid.
What is the SMILES notation for butanoic acid;3-hydroxypropanoic acid?
The canonical SMILES for butanoic acid;3-hydroxypropanoic acid is CCCC(=O)O.O=C(O)CCO.
What is the InChIKey of butanoic acid;3-hydroxypropanoic acid?
The InChIKey is XCXRMXFLCTXMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H6O3/c1-2-3-4(5)6;4-2-1-3(5)6/h2-3H2,1H3,(H,5,6);4H,1-2H2,(H,5,6).
What are the key properties of butanoic acid;3-hydroxypropanoic acid?
butanoic acid;3-hydroxypropanoic acid has a molecular weight of 178.18 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;3-hydroxypropanoic acid is sourced from PubChem (CID 87339228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).