methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate

C15H22N2O4 — CID 107341978

IUPACmethyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate
SMILESCCC(CC)NC(=O)COc1cccc(N)c1C(=O)OC
InChIInChI=1S/C15H22N2O4/c1-4-10(5-2)17-13(18)9-21-12-8-6-7-11(16)14(12)15(19)20-3/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyMMJWMBWJZNRRBT-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.74
Rot. Bonds7

About methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate

methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate (PubChem CID 107341978) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate
PubChem CID107341978
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate
SMILESCCC(CC)NC(=O)COc1cccc(N)c1C(=O)OC
InChIInChI=1S/C15H22N2O4/c1-4-10(5-2)17-13(18)9-21-12-8-6-7-11(16)14(12)15(19)20-3/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyMMJWMBWJZNRRBT-UHFFFAOYSA-N
XLogP1.74
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
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-(2-oxo-2-propan-2-yloxyethoxy)benzoate
CID 107341945
methyl 2-amino-6-(3-ethoxypropoxy)benzoate
CID 107341819
2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 107341681
methyl 2-amino-6-(2,2-difluoroethoxy)benzoate
CID 107341765
methyl 2-amino-6-(3-methoxypropoxy)benzoate
CID 107341764
methyl 2-amino-6-(3-hydroxybutoxy)benzoate
CID 107341826
2-(2-amino-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957008
methyl 2-amino-6-(3-amino-3-oxopropoxy)benzoate
CID 107341796
3-(3-amino-2-methoxycarbonylphenoxy)-2,2-dimethylpropanoic acid
CID 107341870
2-(2-amino-5-methylphenoxy)-N-pentan-3-ylacetamide
CID 54956904
2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
CID 61486944
2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
CID 61490026

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate?
The IUPAC name of methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate (CID 107341978) is methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate.
What is the SMILES notation for methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate?
The canonical SMILES for methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate is CCC(CC)NC(=O)COc1cccc(N)c1C(=O)OC.
What is the InChIKey of methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate?
The InChIKey is MMJWMBWJZNRRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-10(5-2)17-13(18)9-21-12-8-6-7-11(16)14(12)15(19)20-3/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate?
methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate has a molecular weight of 294.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate is sourced from PubChem (CID 107341978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).