methyl 1-(4-aminophenyl)cyclopropane-1-carboxylate

C11H13NO2 — CID 58841079

IUPACmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C11H13NO2/c1-14-10(13)11(6-7-11)8-2-4-9(12)5-3-8/h2-5H,6-7,12H2,1H3
InChIKeyHHUXVTQTBMIHPK-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.47
Rot. Bonds2

About methyl 1-(4-aminophenyl)cyclopropane-1-carboxylate

methyl 1-(4-aminophenyl)cyclopropane-1-carboxylate (PubChem CID 58841079) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 1-(4-aminophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
PubChem CID58841079
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C11H13NO2/c1-14-10(13)11(6-7-11)8-2-4-9(12)5-3-8/h2-5H,6-7,12H2,1H3
InChIKeyHHUXVTQTBMIHPK-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Aminophenylacetic acid
CID 14533
3-(4-Aminophenyl)propionic acid
CID 75451
4-Aminohydratropic acid
CID 43026
4-(4-Aminophenyl)butanoic acid
CID 27049
2-(4-Aminophenyl)butanoic acid
CID 34655
p-Aminophenylacetic acid ethyl ester
CID 225219
n-Butyl 4-aminophenylacetate
CID 12238924
2-(4-Aminophenyl)-2-phenylacetic acid
CID 346835
Methyl 3-(4-aminophenyl)propanoate
CID 417374
Dimethyl 2-ethyl-2-(4-nitrophenyl)malonate
CID 4552325
3-(4-Aminophenyl)-2-phenylpropanoic acid
CID 233258
Methyl 2-(4-acetamidophenyl)acetate
CID 571855

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-aminophenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-aminophenyl)cyclopropane-1-carboxylate (CID 58841079) is methyl 1-(4-aminophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-aminophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-aminophenyl)cyclopropane-1-carboxylate is COC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of methyl 1-(4-aminophenyl)cyclopropane-1-carboxylate?
The InChIKey is HHUXVTQTBMIHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-10(13)11(6-7-11)8-2-4-9(12)5-3-8/h2-5H,6-7,12H2,1H3.
What are the key properties of methyl 1-(4-aminophenyl)cyclopropane-1-carboxylate?
methyl 1-(4-aminophenyl)cyclopropane-1-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-aminophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 58841079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).