methyl 2-(4-amino-3-methylanilino)acetate

C10H14N2O2 — CID 43436219

IUPACmethyl 2-(4-amino-3-methylanilino)acetate
SMILESCOC(=O)CNc1ccc(N)c(C)c1
InChIInChI=1S/C10H14N2O2/c1-7-5-8(3-4-9(7)11)12-6-10(13)14-2/h3-5,12H,6,11H2,1-2H3
InChIKeyYTTRJUUSYAFNEB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.16
Rot. Bonds3

About methyl 2-(4-amino-3-methylanilino)acetate

methyl 2-(4-amino-3-methylanilino)acetate (PubChem CID 43436219) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-(4-amino-3-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-3-methylanilino)acetate
PubChem CID43436219
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 2-(4-amino-3-methylanilino)acetate
SMILESCOC(=O)CNc1ccc(N)c(C)c1
InChIInChI=1S/C10H14N2O2/c1-7-5-8(3-4-9(7)11)12-6-10(13)14-2/h3-5,12H,6,11H2,1-2H3
InChIKeyYTTRJUUSYAFNEB-UHFFFAOYSA-N
XLogP1.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-3-methylanilino)-N-methylacetamide
CID 43436351
methyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115232665
methyl 2-(4-amino-3-propoxyanilino)acetate
CID 63671618
methyl 2-(4-methoxy-3,5-dimethylanilino)acetate
CID 115232720
ethyl 2-(3,4-dimethylanilino)acetate;hydrochloride
CID 163328951
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
methyl 3-(3-amino-4-methylanilino)propanoate
CID 62911969
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide
CID 103017832
ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196
ethyl 2-(4-acetyl-3-aminoanilino)acetate
CID 104528454
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-3-methylanilino)acetate?
The IUPAC name of methyl 2-(4-amino-3-methylanilino)acetate (CID 43436219) is methyl 2-(4-amino-3-methylanilino)acetate.
What is the SMILES notation for methyl 2-(4-amino-3-methylanilino)acetate?
The canonical SMILES for methyl 2-(4-amino-3-methylanilino)acetate is COC(=O)CNc1ccc(N)c(C)c1.
What is the InChIKey of methyl 2-(4-amino-3-methylanilino)acetate?
The InChIKey is YTTRJUUSYAFNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-5-8(3-4-9(7)11)12-6-10(13)14-2/h3-5,12H,6,11H2,1-2H3.
What are the key properties of methyl 2-(4-amino-3-methylanilino)acetate?
methyl 2-(4-amino-3-methylanilino)acetate has a molecular weight of 194.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-3-methylanilino)acetate is sourced from PubChem (CID 43436219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).