trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid

C10H10O2 — CID 778517

IUPACtrans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9+/m1/s1
InChIKeyAHDDRJBFJBDEPW-BDAKNGLRSA-N
MW162.19 g/mol
LogP1.87
Rot. Bonds2

About trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid

trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 778517) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid
PubChem CID778517
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Nametrans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9+/m1/s1
InChIKeyAHDDRJBFJBDEPW-BDAKNGLRSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid (CID 778517) is trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is AHDDRJBFJBDEPW-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9+/m1/s1.
What are the key properties of trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 162.19 g/mol, XLogP of 1.87, 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-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 778517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).