trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid

C14H12O2 — CID 51888068

IUPACtrans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C14H12O2/c15-14(16)13-8-12(13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13H,8H2,(H,15,16)/t12-,13+/m1/s1
InChIKeyFYIYLUVAEOWOBJ-OLZOCXBDSA-N
MW212.25 g/mol
LogP3.03
Rot. Bonds2

About trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid

trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid (PubChem CID 51888068) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
PubChem CID51888068
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Nametrans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C14H12O2/c15-14(16)13-8-12(13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13H,8H2,(H,15,16)/t12-,13+/m1/s1
InChIKeyFYIYLUVAEOWOBJ-OLZOCXBDSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 119384164
2-quinolin-3-ylcyclopropane-1-carboxylic acid
CID 67290101
methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate
CID 20832387
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 110001055
(3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid
CID 68654438
trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
CID 51888201
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid (CID 51888068) is trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is FYIYLUVAEOWOBJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H12O2/c15-14(16)13-8-12(13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13H,8H2,(H,15,16)/t12-,13+/m1/s1.
What are the key properties of trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 51888068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).