(3-aminophenyl) cyclopropanecarboxylate

C10H11NO2 — CID 175156666

IUPAC(3-aminophenyl) cyclopropanecarboxylate
SMILESNc1cccc(OC(=O)C2CC2)c1
InChIInChI=1S/C10H11NO2/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h1-3,6-7H,4-5,11H2
InChIKeyZUPGEBKYRWGLOQ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.58
Rot. Bonds2

About (3-aminophenyl) cyclopropanecarboxylate

(3-aminophenyl) cyclopropanecarboxylate (PubChem CID 175156666) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3-aminophenyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(3-aminophenyl) cyclopropanecarboxylate
PubChem CID175156666
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(3-aminophenyl) cyclopropanecarboxylate
SMILESNc1cccc(OC(=O)C2CC2)c1
InChIInChI=1S/C10H11NO2/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h1-3,6-7H,4-5,11H2
InChIKeyZUPGEBKYRWGLOQ-UHFFFAOYSA-N
XLogP1.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-sulfamoylphenyl) cyclopropanecarboxylate
CID 175230114
naphthalen-2-yl cyclopropanecarboxylate
CID 532295
[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
CID 21495442
bis(3-aminophenyl) benzene-1,2-dicarboxylate
CID 140718881
[3-(cyclopropanecarbonyloxy)phenyl] 2-bromobenzoate
CID 91728177
[3-(1,3-dioxoisoindol-2-yl)phenyl] cyclopropanecarboxylate
CID 19205362
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
(3-acetylphenyl) cyclohexanecarboxylate
CID 86975498
(3-prop-2-enoyloxyphenyl) cyclohexanecarboxylate
CID 91698143
phenyl 4-ethylcyclohexane-1-carboxylate
CID 53401345
(3-quinoxalin-6-ylphenyl) cyclopropanecarboxylate
CID 68641487
ethane;phenyl 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate
CID 90929650

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl) cyclopropanecarboxylate?
The IUPAC name of (3-aminophenyl) cyclopropanecarboxylate (CID 175156666) is (3-aminophenyl) cyclopropanecarboxylate.
What is the SMILES notation for (3-aminophenyl) cyclopropanecarboxylate?
The canonical SMILES for (3-aminophenyl) cyclopropanecarboxylate is Nc1cccc(OC(=O)C2CC2)c1.
What is the InChIKey of (3-aminophenyl) cyclopropanecarboxylate?
The InChIKey is ZUPGEBKYRWGLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h1-3,6-7H,4-5,11H2.
What are the key properties of (3-aminophenyl) cyclopropanecarboxylate?
(3-aminophenyl) cyclopropanecarboxylate has a molecular weight of 177.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl) cyclopropanecarboxylate is sourced from PubChem (CID 175156666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).