cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid

C11H12O2 — CID 10487497

IUPACcis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1Cc1ccccc1
InChIInChI=1S/C11H12O2/c12-11(13)10-7-9(10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t9-,10-/m1/s1
InChIKeyNHRRSNXEZMRFKC-NXEZZACHSA-N
MW176.22 g/mol
LogP1.95
Rot. Bonds3

About cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid

cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid (PubChem CID 10487497) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
PubChem CID10487497
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Namecis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1Cc1ccccc1
InChIInChI=1S/C11H12O2/c12-11(13)10-7-9(10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t9-,10-/m1/s1
InChIKeyNHRRSNXEZMRFKC-NXEZZACHSA-N
XLogP1.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid (CID 10487497) is cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1Cc1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid?
The InChIKey is NHRRSNXEZMRFKC-NXEZZACHSA-N. The full InChI is InChI=1S/C11H12O2/c12-11(13)10-7-9(10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t9-,10-/m1/s1.
What are the key properties of cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid has a molecular weight of 176.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 10487497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).