methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate

C12H15NO4 — CID 19356382

IUPACmethyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(N)c(CC(=O)OC)c1
InChIInChI=1S/C12H15NO4/c1-16-11(14)6-8-3-4-10(13)9(5-8)7-12(15)17-2/h3-5H,6-7,13H2,1-2H3
InChIKeyTXIZXFCVSLLQRE-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.70
Rot. Bonds4

About methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate

methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate (PubChem CID 19356382) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
PubChem CID19356382
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(N)c(CC(=O)OC)c1
InChIInChI=1S/C12H15NO4/c1-16-11(14)6-8-3-4-10(13)9(5-8)7-12(15)17-2/h3-5H,6-7,13H2,1-2H3
InChIKeyTXIZXFCVSLLQRE-UHFFFAOYSA-N
XLogP0.70
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.70
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-(4-amino-3-iodophenyl)acetate
CID 46941390
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
methyl 2-(4-amino-3-ethoxyphenyl)acetate
CID 146285643
methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate
CID 19698379
methyl 2-(4-amino-3-nitrophenyl)acetate
CID 54002717
sodium 2,4-bis(2-methoxy-2-oxoethyl)phenolate
CID 162321881
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
ethyl 2-[4-amino-3-(aminomethyl)phenyl]acetate
CID 174585118
2-[4-amino-3-(2-oxopropyl)phenyl]acetic acid
CID 118811989
methyl 2-[7-(2-methoxy-2-oxoethyl)thianthren-2-yl]acetate
CID 19906740
methyl 2-[4-bromo-3-(methoxymethyl)phenyl]acetate
CID 163292027
methyl 3-(3,4-diaminophenyl)propanoate
CID 122514005

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate (CID 19356382) is methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate is COC(=O)Cc1ccc(N)c(CC(=O)OC)c1.
What is the InChIKey of methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate?
The InChIKey is TXIZXFCVSLLQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-11(14)6-8-3-4-10(13)9(5-8)7-12(15)17-2/h3-5H,6-7,13H2,1-2H3.
What are the key properties of methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate?
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate has a molecular weight of 237.25 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate is sourced from PubChem (CID 19356382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).