trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid

C18H19NO2 — CID 70981606

IUPACtrans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid
SMILESCNC[C@@H]1C[C@]1(C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-19-12-16-11-18(16,17(20)21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16,19H,11-12H2,1H3,(H,20,21)/t16-,18-/m0/s1
InChIKeyLJVZUSIRULZMOH-WMZOPIPTSA-N
MW281.36 g/mol
LogP2.92
Rot. Bonds5

About trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 70981606) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid
PubChem CID70981606
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Nametrans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid
SMILESCNC[C@@H]1C[C@]1(C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-19-12-16-11-18(16,17(20)21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16,19H,11-12H2,1H3,(H,20,21)/t16-,18-/m0/s1
InChIKeyLJVZUSIRULZMOH-WMZOPIPTSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid (CID 70981606) is trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid is CNC[C@@H]1C[C@]1(C(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is LJVZUSIRULZMOH-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19-12-16-11-18(16,17(20)21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16,19H,11-12H2,1H3,(H,20,21)/t16-,18-/m0/s1.
What are the key properties of trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 70981606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).