methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate

C12H15NO2 — CID 171446432

IUPACmethyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1cccc(C)c1N
InChIInChI=1S/C12H15NO2/c1-7-4-3-5-8(11(7)13)9-6-10(9)12(14)15-2/h3-5,9-10H,6,13H2,1-2H3
InChIKeyRFDSEIFUFMNEDZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.85
Rot. Bonds2

About methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate

methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate (PubChem CID 171446432) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate
PubChem CID171446432
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1cccc(C)c1N
InChIInChI=1S/C12H15NO2/c1-7-4-3-5-8(11(7)13)9-6-10(9)12(14)15-2/h3-5,9-10H,6,13H2,1-2H3
InChIKeyRFDSEIFUFMNEDZ-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate (CID 171446432) is methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate is COC(=O)C1CC1c1cccc(C)c1N.
What is the InChIKey of methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate?
The InChIKey is RFDSEIFUFMNEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-4-3-5-8(11(7)13)9-6-10(9)12(14)15-2/h3-5,9-10H,6,13H2,1-2H3.
What are the key properties of methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate?
methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 171446432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).