ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate

C13H17NO3 — CID 82363625

IUPACethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(N)CC1c1ccccc1OC
InChIInChI=1S/C13H17NO3/c1-3-17-12(15)13(14)8-10(13)9-6-4-5-7-11(9)16-2/h4-7,10H,3,8,14H2,1-2H3
InChIKeyHWVRTVGEDOUZQD-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.44
Rot. Bonds4

About ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate

ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate (PubChem CID 82363625) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
PubChem CID82363625
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(N)CC1c1ccccc1OC
InChIInChI=1S/C13H17NO3/c1-3-17-12(15)13(14)8-10(13)9-6-4-5-7-11(9)16-2/h4-7,10H,3,8,14H2,1-2H3
InChIKeyHWVRTVGEDOUZQD-UHFFFAOYSA-N
XLogP1.44
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
CID 82363645
ethyl (1R,3S,9bR)-3-hydroxy-1-(2-methoxyphenyl)-5-oxo-2,3-dihydro-1H-pyrrolo[2,1-a]isoindole-9b-carboxylate
CID 122386021
diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate
CID 102293136
ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 91306842
1-O-ethyl 3-O-methyl 1-amino-2-(5-bromo-2-methoxyphenyl)cyclobutane-1,3-dicarboxylate
CID 144616481
diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 12641252
ethyl 2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)acetate
CID 12507120
1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene
CID 134968527
ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate
CID 70454520
ethyl 1-amino-2-phenylcyclobutane-1-carboxylate
CID 135039689
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 91531174

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate (CID 82363625) is ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate is CCOC(=O)C1(N)CC1c1ccccc1OC.
What is the InChIKey of ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate?
The InChIKey is HWVRTVGEDOUZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-12(15)13(14)8-10(13)9-6-4-5-7-11(9)16-2/h4-7,10H,3,8,14H2,1-2H3.
What are the key properties of ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate?
ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 82363625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).