methyl 4-(1-aminocyclopropyl)benzoate

C11H13NO2 — CID 45140209

IUPACmethyl 4-(1-aminocyclopropyl)benzoate
SMILESCOC(=O)c1ccc(C2(N)CC2)cc1
InChIInChI=1S/C11H13NO2/c1-14-10(13)8-2-4-9(5-3-8)11(12)6-7-11/h2-5H,6-7,12H2,1H3
InChIKeyJUMQWXLIAYMPHT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.42
Rot. Bonds2

About methyl 4-(1-aminocyclopropyl)benzoate

methyl 4-(1-aminocyclopropyl)benzoate (PubChem CID 45140209) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 4-(1-aminocyclopropyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1-aminocyclopropyl)benzoate
PubChem CID45140209
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 4-(1-aminocyclopropyl)benzoate
SMILESCOC(=O)c1ccc(C2(N)CC2)cc1
InChIInChI=1S/C11H13NO2/c1-14-10(13)8-2-4-9(5-3-8)11(12)6-7-11/h2-5H,6-7,12H2,1H3
InChIKeyJUMQWXLIAYMPHT-UHFFFAOYSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-aminocyclopropyl)benzoate?
The IUPAC name of methyl 4-(1-aminocyclopropyl)benzoate (CID 45140209) is methyl 4-(1-aminocyclopropyl)benzoate.
What is the SMILES notation for methyl 4-(1-aminocyclopropyl)benzoate?
The canonical SMILES for methyl 4-(1-aminocyclopropyl)benzoate is COC(=O)c1ccc(C2(N)CC2)cc1.
What is the InChIKey of methyl 4-(1-aminocyclopropyl)benzoate?
The InChIKey is JUMQWXLIAYMPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-10(13)8-2-4-9(5-3-8)11(12)6-7-11/h2-5H,6-7,12H2,1H3.
What are the key properties of methyl 4-(1-aminocyclopropyl)benzoate?
methyl 4-(1-aminocyclopropyl)benzoate has a molecular weight of 191.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-aminocyclopropyl)benzoate is sourced from PubChem (CID 45140209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).