(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid

C7H8O4 — CID 69050344

IUPAC(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
SMILESO=C(O)C[C@H](O)c1ccco1
InChIInChI=1S/C7H8O4/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5,8H,4H2,(H,9,10)/t5-/m0/s1
InChIKeyNUKLZDAWVIVICG-YFKPBYRVSA-N
MW156.14 g/mol
LogP0.79
Rot. Bonds3

About (3S)-3-(furan-2-yl)-3-hydroxypropanoic acid

(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid (PubChem CID 69050344) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
PubChem CID69050344
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
SMILESO=C(O)C[C@H](O)c1ccco1
InChIInChI=1S/C7H8O4/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5,8H,4H2,(H,9,10)/t5-/m0/s1
InChIKeyNUKLZDAWVIVICG-YFKPBYRVSA-N
XLogP0.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(furan-2-yl)butanedioic acid
CID 919498
3-(furan-2-yl)-3-hydroxy-N-phenylpropanamide
CID 78165450
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
methyl 4-(furan-2-yl)-4-hydroxy-2-oxobutanoate
CID 135218937
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
1-(furan-2-yl)-3-iodobut-3-en-1-ol
CID 24890408
(3S)-4,4,4-trifluoro-3-(furan-2-yl)butanoic acid
CID 129375360
3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216587
3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
CID 83823188
2-(furan-2-yl)propanedioic acid
CID 19790856
(3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid
CID 2235057
3-chloro-1-(furan-2-yl)propan-1-ol
CID 77242319

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-3-hydroxypropanoic acid?
The IUPAC name of (3S)-3-(furan-2-yl)-3-hydroxypropanoic acid (CID 69050344) is (3S)-3-(furan-2-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for (3S)-3-(furan-2-yl)-3-hydroxypropanoic acid?
The canonical SMILES for (3S)-3-(furan-2-yl)-3-hydroxypropanoic acid is O=C(O)C[C@H](O)c1ccco1.
What is the InChIKey of (3S)-3-(furan-2-yl)-3-hydroxypropanoic acid?
The InChIKey is NUKLZDAWVIVICG-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8O4/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5,8H,4H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (3S)-3-(furan-2-yl)-3-hydroxypropanoic acid?
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid has a molecular weight of 156.14 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 69050344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).