2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid

C13H16O2 — CID 129362346

IUPAC2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCc2ccccc2C1
InChIInChI=1S/C13H16O2/c14-13(15)9-10-4-3-7-11-5-1-2-6-12(11)8-10/h1-2,5-6,10H,3-4,7-9H2,(H,14,15)/t10-/m0/s1
InChIKeyCTFWNXCRLPIKGG-JTQLQIEISA-N
MW204.27 g/mol
LogP2.66
Rot. Bonds2

About 2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid

2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid (PubChem CID 129362346) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid.

Molecular Properties

Compound Name2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
PubChem CID129362346
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCc2ccccc2C1
InChIInChI=1S/C13H16O2/c14-13(15)9-10-4-3-7-11-5-1-2-6-12(11)8-10/h1-2,5-6,10H,3-4,7-9H2,(H,14,15)/t10-/m0/s1
InChIKeyCTFWNXCRLPIKGG-JTQLQIEISA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 15021263
(2S)-1-[2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 15021264
(2R)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 54196372
(2R,3R)-2-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]piperidine-3-carboxylic acid
CID 122115861
6-(carboxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22118655
cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678574
2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 119200234
1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)ethanone
CID 10022186
2-[4-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]thiomorpholin-3-yl]acetic acid
CID 119210440
1-(4-aminopiperidin-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone;hydrochloride
CID 119375839
3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol
CID 67879898
2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 82384252

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid?
The IUPAC name of 2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid (CID 129362346) is 2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid.
What is the SMILES notation for 2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid?
The canonical SMILES for 2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid is O=C(O)C[C@H]1CCCc2ccccc2C1.
What is the InChIKey of 2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid?
The InChIKey is CTFWNXCRLPIKGG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16O2/c14-13(15)9-10-4-3-7-11-5-1-2-6-12(11)8-10/h1-2,5-6,10H,3-4,7-9H2,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid?
2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid has a molecular weight of 204.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid is sourced from PubChem (CID 129362346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).