3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate

C14H19NO3 — CID 112558510

IUPAC3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
SMILESCOCCCOC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C14H19NO3/c1-17-9-2-10-18-13(16)14(7-8-14)11-3-5-12(15)6-4-11/h3-6H,2,7-10,15H2,1H3
InChIKeyXYMOMFRCTPNAOO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.88
Rot. Bonds6

About 3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate

3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate (PubChem CID 112558510) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
PubChem CID112558510
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
SMILESCOCCCOC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C14H19NO3/c1-17-9-2-10-18-13(16)14(7-8-14)11-3-5-12(15)6-4-11/h3-6H,2,7-10,15H2,1H3
InChIKeyXYMOMFRCTPNAOO-UHFFFAOYSA-N
XLogP1.88
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Aminophenylacetic acid
CID 14533
4-Aminohydratropic acid
CID 43026
2-(4-Aminophenyl)butanoic acid
CID 34655
p-Aminophenylacetic acid ethyl ester
CID 225219
n-Butyl 4-aminophenylacetate
CID 12238924
Methyl 3-(4-aminophenyl)propanoate
CID 417374
2-(Diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride
CID 45264795
Tert-butyl 2-(4-aminophenyl)acetate
CID 2760930
Methyl 2-(4-aminophenyl)propionate
CID 3016109
Ethyl 2-(2-aminophenyl)acetate
CID 5743383
Ethyl 2-(4-isocyanatophenyl)acetate
CID 25218976
Tert-butyl 2-(2-aminophenyl)acetate
CID 13701369

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate?
The IUPAC name of 3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate (CID 112558510) is 3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for 3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate is COCCCOC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate?
The InChIKey is XYMOMFRCTPNAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-9-2-10-18-13(16)14(7-8-14)11-3-5-12(15)6-4-11/h3-6H,2,7-10,15H2,1H3.
What are the key properties of 3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate?
3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 112558510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).