methyl 2-(3,6-diamino-2-methoxyphenyl)acetate

C10H14N2O3 — CID 171030798

IUPACmethyl 2-(3,6-diamino-2-methoxyphenyl)acetate
SMILESCOC(=O)Cc1c(N)ccc(N)c1OC
InChIInChI=1S/C10H14N2O3/c1-14-9(13)5-6-7(11)3-4-8(12)10(6)15-2/h3-4H,5,11-12H2,1-2H3
InChIKeyHKFQBDKXIKZYKB-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.58
Rot. Bonds3

About methyl 2-(3,6-diamino-2-methoxyphenyl)acetate

methyl 2-(3,6-diamino-2-methoxyphenyl)acetate (PubChem CID 171030798) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-(3,6-diamino-2-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,6-diamino-2-methoxyphenyl)acetate
PubChem CID171030798
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 2-(3,6-diamino-2-methoxyphenyl)acetate
SMILESCOC(=O)Cc1c(N)ccc(N)c1OC
InChIInChI=1S/C10H14N2O3/c1-14-9(13)5-6-7(11)3-4-8(12)10(6)15-2/h3-4H,5,11-12H2,1-2H3
InChIKeyHKFQBDKXIKZYKB-UHFFFAOYSA-N
XLogP0.58
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.58
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-(3-amino-2-methoxy-6-phenylphenyl)acetate
CID 11086866
methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate
CID 171030606
methyl 2-(4-aminonaphthalen-1-yl)acetate;hydrochloride
CID 44533305
methyl 2-(2-amino-6-ethoxyphenyl)acetate
CID 84676806
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
methyl 2-(3-amino-2-methyl-6-nitrophenyl)acetate
CID 171030723
methyl 2-(3-amino-6-methyl-2-nitrophenyl)acetate
CID 171030727
methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate
CID 11528816
methyl 2-(2-bromo-1H-indol-3-yl)acetate
CID 27281283
methyl 2-(4-amino-3-iodophenyl)acetate
CID 46941390
ethyl 2-(6-amino-2,3-dibromophenyl)acetate
CID 171010935

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,6-diamino-2-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(3,6-diamino-2-methoxyphenyl)acetate (CID 171030798) is methyl 2-(3,6-diamino-2-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(3,6-diamino-2-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(3,6-diamino-2-methoxyphenyl)acetate is COC(=O)Cc1c(N)ccc(N)c1OC.
What is the InChIKey of methyl 2-(3,6-diamino-2-methoxyphenyl)acetate?
The InChIKey is HKFQBDKXIKZYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-9(13)5-6-7(11)3-4-8(12)10(6)15-2/h3-4H,5,11-12H2,1-2H3.
What are the key properties of methyl 2-(3,6-diamino-2-methoxyphenyl)acetate?
methyl 2-(3,6-diamino-2-methoxyphenyl)acetate has a molecular weight of 210.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,6-diamino-2-methoxyphenyl)acetate is sourced from PubChem (CID 171030798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).