methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate

C11H13NO4 — CID 10082311

IUPACmethyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate
SMILESCOC(=O)c1ccc(C(N)C(=O)OC)cc1
InChIInChI=1S/C11H13NO4/c1-15-10(13)8-5-3-7(4-6-8)9(12)11(14)16-2/h3-6,9H,12H2,1-2H3
InChIKeyRZEPKAKDCZCNJQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.65
Rot. Bonds3

About methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate

methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate (PubChem CID 10082311) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate
PubChem CID10082311
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate
SMILESCOC(=O)c1ccc(C(N)C(=O)OC)cc1
InChIInChI=1S/C11H13NO4/c1-15-10(13)8-5-3-7(4-6-8)9(12)11(14)16-2/h3-6,9H,12H2,1-2H3
InChIKeyRZEPKAKDCZCNJQ-UHFFFAOYSA-N
XLogP0.65
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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 ≤ 105

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Related Compounds

methanol;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 143623617
methyl 4-[amino(iodo)methyl]benzoate
CID 140524482
methyl 4-(1-bromo-2-methoxy-2-oxoethyl)benzoate
CID 121006519
methyl 3-[(1S)-1-amino-2-methoxy-2-oxoethyl]benzoate
CID 171213776
methyl 4-[(1R)-1,2-diaminoethyl]benzoate
CID 66516439
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-[(1R)-1-aminoprop-2-enyl]benzoate;hydrochloride
CID 171212672
methyl 4-[(1R)-1-amino-3-methoxy-3-oxopropyl]benzoate
CID 171250582
methyl 4-[1-(4-aminophenyl)ethyl]benzoate
CID 175023577
bis[hydroxy-(4-methoxycarbonylphenyl)methyl]phosphinic acid
CID 122372615
methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate
CID 130927845
methyl (2R)-2-amino-2-(4-cyanophenyl)acetate
CID 58916884

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate?
The IUPAC name of methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate (CID 10082311) is methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate.
What is the SMILES notation for methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate?
The canonical SMILES for methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate is COC(=O)c1ccc(C(N)C(=O)OC)cc1.
What is the InChIKey of methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate?
The InChIKey is RZEPKAKDCZCNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-10(13)8-5-3-7(4-6-8)9(12)11(14)16-2/h3-6,9H,12H2,1-2H3.
What are the key properties of methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate?
methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate has a molecular weight of 223.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate is sourced from PubChem (CID 10082311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).