(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C12H14O2 — CID 95566858

IUPAC(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESC[C@]1(C(=O)O)CCc2ccccc2C1
InChIInChI=1S/C12H14O2/c1-12(11(13)14)7-6-9-4-2-3-5-10(9)8-12/h2-5H,6-8H2,1H3,(H,13,14)/t12-/m0/s1
InChIKeyNZWGWZMCDWLRON-LBPRGKRZSA-N
MW190.24 g/mol
LogP2.27
Rot. Bonds1

About (2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid

(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 95566858) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID95566858
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESC[C@]1(C(=O)O)CCc2ccccc2C1
InChIInChI=1S/C12H14O2/c1-12(11(13)14)7-6-9-4-2-3-5-10(9)8-12/h2-5H,6-8H2,1H3,(H,13,14)/t12-/m0/s1
InChIKeyNZWGWZMCDWLRON-LBPRGKRZSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of (2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 95566858) is (2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for (2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for (2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid is C[C@]1(C(=O)O)CCc2ccccc2C1.
What is the InChIKey of (2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is NZWGWZMCDWLRON-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(11(13)14)7-6-9-4-2-3-5-10(9)8-12/h2-5H,6-8H2,1H3,(H,13,14)/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 190.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 95566858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).