methyl 4-amino-3-cyclopropyloxybenzoate

C11H13NO3 — CID 134284521

IUPACmethyl 4-amino-3-cyclopropyloxybenzoate
SMILESCOC(=O)c1ccc(N)c(OC2CC2)c1
InChIInChI=1S/C11H13NO3/c1-14-11(13)7-2-5-9(12)10(6-7)15-8-3-4-8/h2,5-6,8H,3-4,12H2,1H3
InChIKeyVQFIVNFCNNEKRE-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.60
Rot. Bonds3

About methyl 4-amino-3-cyclopropyloxybenzoate

methyl 4-amino-3-cyclopropyloxybenzoate (PubChem CID 134284521) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 4-amino-3-cyclopropyloxybenzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-cyclopropyloxybenzoate
PubChem CID134284521
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 4-amino-3-cyclopropyloxybenzoate
SMILESCOC(=O)c1ccc(N)c(OC2CC2)c1
InChIInChI=1S/C11H13NO3/c1-14-11(13)7-2-5-9(12)10(6-7)15-8-3-4-8/h2,5-6,8H,3-4,12H2,1H3
InChIKeyVQFIVNFCNNEKRE-UHFFFAOYSA-N
XLogP1.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-3-(1,1-dioxothiolan-3-yl)oxybenzoate
CID 54914653
methyl 4-amino-3-(oxolan-3-yloxy)benzoate
CID 59360023
tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 164529973
ethyl 4-amino-3-cyclohexyloxybenzoate
CID 82796678
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 4-(4-aminocyclohexyl)oxy-3-methoxybenzoate
CID 117053323
methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate
CID 167708846
methyl 4-amino-3-(difluoromethoxy)benzoate
CID 43380209
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
methyl 4-amino-3-(3-ethoxypropoxy)benzoate
CID 65180377
methyl 4-amino-3-(2-cyclopentylethoxy)benzoate
CID 114191521
methyl 3-bromo-4-cyclobutyloxybenzoate
CID 18782514

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-cyclopropyloxybenzoate?
The IUPAC name of methyl 4-amino-3-cyclopropyloxybenzoate (CID 134284521) is methyl 4-amino-3-cyclopropyloxybenzoate.
What is the SMILES notation for methyl 4-amino-3-cyclopropyloxybenzoate?
The canonical SMILES for methyl 4-amino-3-cyclopropyloxybenzoate is COC(=O)c1ccc(N)c(OC2CC2)c1.
What is the InChIKey of methyl 4-amino-3-cyclopropyloxybenzoate?
The InChIKey is VQFIVNFCNNEKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-11(13)7-2-5-9(12)10(6-7)15-8-3-4-8/h2,5-6,8H,3-4,12H2,1H3.
What are the key properties of methyl 4-amino-3-cyclopropyloxybenzoate?
methyl 4-amino-3-cyclopropyloxybenzoate has a molecular weight of 207.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-cyclopropyloxybenzoate is sourced from PubChem (CID 134284521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).