2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid

C11H12O2 — CID 11194634

IUPAC2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCc2ccccc21
InChIInChI=1S/C11H12O2/c12-11(13)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-7H2,(H,12,13)/t9-/m0/s1
InChIKeyRJVZEPWRJJBXLH-VIFPVBQESA-N
MW176.22 g/mol
LogP2.19
Rot. Bonds2

About 2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 11194634) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid
PubChem CID11194634
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCc2ccccc21
InChIInChI=1S/C11H12O2/c12-11(13)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-7H2,(H,12,13)/t9-/m0/s1
InChIKeyRJVZEPWRJJBXLH-VIFPVBQESA-N
XLogP2.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid?
The IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 11194634) is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid.
What is the SMILES notation for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid?
The canonical SMILES for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid is O=C(O)C[C@@H]1CCc2ccccc21.
What is the InChIKey of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid?
The InChIKey is RJVZEPWRJJBXLH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12O2/c12-11(13)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid?
2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 176.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 11194634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).