methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate

C12H15NO3 — CID 103439505

IUPACmethyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2OC)CC1
InChIInChI=1S/C12H15NO3/c1-15-10-6-4-3-5-9(10)13-12(7-8-12)11(14)16-2/h3-6,13H,7-8H2,1-2H3
InChIKeyLDFDQFPNMMORSV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.81
Rot. Bonds4

About methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate

methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate (PubChem CID 103439505) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
PubChem CID103439505
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2OC)CC1
InChIInChI=1S/C12H15NO3/c1-15-10-6-4-3-5-9(10)13-12(7-8-12)11(14)16-2/h3-6,13H,7-8H2,1-2H3
InChIKeyLDFDQFPNMMORSV-UHFFFAOYSA-N
XLogP1.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(2-methoxyanilino)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

methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate
CID 54890268
methyl 4-(2-methoxyanilino)piperidine-4-carboxylate
CID 61245036
methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate
CID 64513805
1-(2-methoxyanilino)cyclobutane-1-carboxamide
CID 60996883
ethyl 3-(2-methoxyanilino)thiolane-3-carboxylate
CID 54890456
3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide
CID 63166159
4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
CID 60996320
1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
CID 60994309
3-(2-methoxyanilino)-5-methylthiolane-3-carboxylic acid
CID 79950602
1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449310
methyl 1-(2-fluoroanilino)-4-methylcycloheptane-1-carboxylate
CID 65085053
ethane;(2-methoxyphenyl)urea
CID 143063924

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate (CID 103439505) is methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate is COC(=O)C1(Nc2ccccc2OC)CC1.
What is the InChIKey of methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate?
The InChIKey is LDFDQFPNMMORSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-10-6-4-3-5-9(10)13-12(7-8-12)11(14)16-2/h3-6,13H,7-8H2,1-2H3.
What are the key properties of methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate?
methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate is sourced from PubChem (CID 103439505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).