3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

C13H16O3 — CID 82366719

IUPAC3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESO=C(O)CC(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H16O3/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12,14H,1-4,8H2,(H,15,16)
InChIKeyWTLAMCQWOPAGSH-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.07
Rot. Bonds3

About 3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (PubChem CID 82366719) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
PubChem CID82366719
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESO=C(O)CC(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H16O3/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12,14H,1-4,8H2,(H,15,16)
InChIKeyWTLAMCQWOPAGSH-UHFFFAOYSA-N
XLogP2.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid
CID 82049898
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
4-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid
CID 82312859
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189
3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116830936
3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid
CID 82045624
4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297695
3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol
CID 84684971
3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid
CID 82348854
2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid
CID 82312862
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 116850923
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82118360

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The IUPAC name of 3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (CID 82366719) is 3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The canonical SMILES for 3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is O=C(O)CC(O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The InChIKey is WTLAMCQWOPAGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12,14H,1-4,8H2,(H,15,16).
What are the key properties of 3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 82366719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).