2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid

C14H16O3 — CID 57372499

IUPAC2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid
SMILESCC=C(C(=O)O)[C@H]1Cc2ccccc2C[C@H]1O
InChIInChI=1S/C14H16O3/c1-2-11(14(16)17)12-7-9-5-3-4-6-10(9)8-13(12)15/h2-6,12-13,15H,7-8H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyJYCBTEURPHNNDD-CHWSQXEVSA-N
MW232.28 g/mol
LogP1.79
Rot. Bonds2

About 2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid

2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid (PubChem CID 57372499) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid.

Molecular Properties

Compound Name2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid
PubChem CID57372499
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid
SMILESCC=C(C(=O)O)[C@H]1Cc2ccccc2C[C@H]1O
InChIInChI=1S/C14H16O3/c1-2-11(14(16)17)12-7-9-5-3-4-6-10(9)8-13(12)15/h2-6,12-13,15H,7-8H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyJYCBTEURPHNNDD-CHWSQXEVSA-N
XLogP1.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 18936951
methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 101261612
1-[(2R,3S)-3-propa-1,2-dienyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
CID 10013424
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258
disodium;2,3-dihydro-1H-indene-2-carboxylic acid;hydride
CID 173251406
1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid
CID 87579467
(E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one
CID 145479052
N-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 12878375
1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone
CID 15269713
2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
(Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide
CID 90190601
3-ethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 89150261

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid?
The IUPAC name of 2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid (CID 57372499) is 2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid.
What is the SMILES notation for 2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid?
The canonical SMILES for 2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid is CC=C(C(=O)O)[C@H]1Cc2ccccc2C[C@H]1O.
What is the InChIKey of 2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid?
The InChIKey is JYCBTEURPHNNDD-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-11(14(16)17)12-7-9-5-3-4-6-10(9)8-13(12)15/h2-6,12-13,15H,7-8H2,1H3,(H,16,17)/t12-,13-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid?
2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]but-2-enoic acid is sourced from PubChem (CID 57372499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).