methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate

C14H18N2O4 — CID 107341890

IUPACmethyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1c(N)cccc1OCC(=O)N(C)C1CC1
InChIInChI=1S/C14H18N2O4/c1-16(9-6-7-9)12(17)8-20-11-5-3-4-10(15)13(11)14(18)19-2/h3-5,9H,6-8,15H2,1-2H3
InChIKeySQFIOMUFHBPVLV-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.05
Rot. Bonds5

About methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate

methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate (PubChem CID 107341890) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate
PubChem CID107341890
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1c(N)cccc1OCC(=O)N(C)C1CC1
InChIInChI=1S/C14H18N2O4/c1-16(9-6-7-9)12(17)8-20-11-5-3-4-10(15)13(11)14(18)19-2/h3-5,9H,6-8,15H2,1-2H3
InChIKeySQFIOMUFHBPVLV-UHFFFAOYSA-N
XLogP1.05
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-6-(3-ethoxypropoxy)benzoate
CID 107341819
methyl 2-amino-6-(3-amino-3-oxopropoxy)benzoate
CID 107341796
3-amino-2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 107077203
methyl 2-amino-6-(2,2-difluoroethoxy)benzoate
CID 107341765
methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate
CID 107341945
methyl 2-amino-6-(3-methoxypropoxy)benzoate
CID 107341764
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate
CID 112580307
2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 54956878
3-(3-amino-2-methoxycarbonylphenoxy)-2,2-dimethylpropanoic acid
CID 107341870
N-cyclohexyl-2-(2-methoxyphenoxy)-N-methylacetamide
CID 19169782
methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate
CID 107341978
methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate
CID 107341742

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate (CID 107341890) is methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate is COC(=O)c1c(N)cccc1OCC(=O)N(C)C1CC1.
What is the InChIKey of methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate?
The InChIKey is SQFIOMUFHBPVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(9-6-7-9)12(17)8-20-11-5-3-4-10(15)13(11)14(18)19-2/h3-5,9H,6-8,15H2,1-2H3.
What are the key properties of methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate?
methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate has a molecular weight of 278.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 107341890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).