methyl 2-(N-amino-4-methoxyanilino)acetate

C10H14N2O3 — CID 54130144

IUPACmethyl 2-(N-amino-4-methoxyanilino)acetate
SMILESCOC(=O)CN(N)c1ccc(OC)cc1
InChIInChI=1S/C10H14N2O3/c1-14-9-5-3-8(4-6-9)12(11)7-10(13)15-2/h3-6H,7,11H2,1-2H3
InChIKeyNTTONQHZJPTUEL-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.55
Rot. Bonds4

About methyl 2-(N-amino-4-methoxyanilino)acetate

methyl 2-(N-amino-4-methoxyanilino)acetate (PubChem CID 54130144) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-(N-amino-4-methoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-amino-4-methoxyanilino)acetate
PubChem CID54130144
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 2-(N-amino-4-methoxyanilino)acetate
SMILESCOC(=O)CN(N)c1ccc(OC)cc1
InChIInChI=1S/C10H14N2O3/c1-14-9-5-3-8(4-6-9)12(11)7-10(13)15-2/h3-6H,7,11H2,1-2H3
InChIKeyNTTONQHZJPTUEL-UHFFFAOYSA-N
XLogP0.55
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino-(4-methoxyphenyl)carbamic acid
CID 66864834
ethyl 3-(N-(2-ethoxy-2-oxoethyl)-4-methoxyanilino)-3-oxopropanoate
CID 46398234
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 23091390
methyl 2-(N-amino-3-cyanoanilino)acetate
CID 54460083
bis(4-methoxyphenyl) propanedioate
CID 12000137
methyl 2-(4-ethoxy-N-methylanilino)acetate
CID 115232761
1,1-bis(4-methoxyphenyl)hydrazine;hydrochloride
CID 20517959
2-(N-acetyl-4-methoxyanilino)-N-propan-2-ylacetamide
CID 113173486
(4-methoxyphenoxy)carbamic acid
CID 152670091
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
methyl 2-(N-acetyl-4-acetyloxyanilino)acetate
CID 22630317

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-amino-4-methoxyanilino)acetate?
The IUPAC name of methyl 2-(N-amino-4-methoxyanilino)acetate (CID 54130144) is methyl 2-(N-amino-4-methoxyanilino)acetate.
What is the SMILES notation for methyl 2-(N-amino-4-methoxyanilino)acetate?
The canonical SMILES for methyl 2-(N-amino-4-methoxyanilino)acetate is COC(=O)CN(N)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-(N-amino-4-methoxyanilino)acetate?
The InChIKey is NTTONQHZJPTUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-9-5-3-8(4-6-9)12(11)7-10(13)15-2/h3-6H,7,11H2,1-2H3.
What are the key properties of methyl 2-(N-amino-4-methoxyanilino)acetate?
methyl 2-(N-amino-4-methoxyanilino)acetate has a molecular weight of 210.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-amino-4-methoxyanilino)acetate is sourced from PubChem (CID 54130144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).