methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate

C11H13NO4 — CID 145310758

IUPACmethyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)cc1OCC(N)=O
InChIInChI=1S/C11H13NO4/c1-7-3-4-8(11(14)15-2)9(5-7)16-6-10(12)13/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyTTXPWGHRRQXKLZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.65
Rot. Bonds4

About methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate

methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate (PubChem CID 145310758) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate
PubChem CID145310758
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)cc1OCC(N)=O
InChIInChI=1S/C11H13NO4/c1-7-3-4-8(11(14)15-2)9(5-7)16-6-10(12)13/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyTTXPWGHRRQXKLZ-UHFFFAOYSA-N
XLogP0.65
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid
CID 99976230
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
2-[4-methyl-2-(methylaminomethyl)phenoxy]acetamide
CID 63322657
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide
CID 78946963
dimethyl 3-(2-amino-2-oxoethoxy)benzene-1,2-dicarboxylate
CID 130178407
4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 46681501
methyl 4-amino-2-[(4-methylphenyl)methoxy]benzoate
CID 106955007
2-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]benzamide
CID 72860190
methyl 2-(2-ethoxy-2-oxoethoxy)-4-iodobenzoate
CID 67324883
methanethiol;methyl 2-(dimethylaminooxy)-4-methylbenzoate
CID 144525219
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 46641142
methyl 4-amino-2-[2-(methylamino)-2-oxoethoxy]benzoate
CID 106955114

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate?
The IUPAC name of methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate (CID 145310758) is methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate.
What is the SMILES notation for methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate?
The canonical SMILES for methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate is COC(=O)c1ccc(C)cc1OCC(N)=O.
What is the InChIKey of methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate?
The InChIKey is TTXPWGHRRQXKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7-3-4-8(11(14)15-2)9(5-7)16-6-10(12)13/h3-5H,6H2,1-2H3,(H2,12,13).
What are the key properties of methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate?
methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate has a molecular weight of 223.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate is sourced from PubChem (CID 145310758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).