methyl 2-amino-3,5-dimethylbenzoate

C10H13NO2 — CID 10702497

IUPACmethyl 2-amino-3,5-dimethylbenzoate
SMILESCOC(=O)c1cc(C)cc(C)c1N
InChIInChI=1S/C10H13NO2/c1-6-4-7(2)9(11)8(5-6)10(12)13-3/h4-5H,11H2,1-3H3
InChIKeyXRCRCNXSQYQLAQ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.67
Rot. Bonds1

About methyl 2-amino-3,5-dimethylbenzoate

methyl 2-amino-3,5-dimethylbenzoate (PubChem CID 10702497) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl 2-amino-3,5-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 2-amino-3,5-dimethylbenzoate
PubChem CID10702497
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl 2-amino-3,5-dimethylbenzoate
SMILESCOC(=O)c1cc(C)cc(C)c1N
InChIInChI=1S/C10H13NO2/c1-6-4-7(2)9(11)8(5-6)10(12)13-3/h4-5H,11H2,1-3H3
InChIKeyXRCRCNXSQYQLAQ-UHFFFAOYSA-N
XLogP1.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-iodo-3-methylbenzoate
CID 121230653
dimethyl 3,5-dimethylbenzene-1,2-dicarboxylate
CID 11499546
ethane;methyl 2-amino-3-methyl-5-(trifluoromethyl)benzoate
CID 144894473
3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate
CID 103403066
dimethyl 2,5-diaminobenzene-1,3-dicarboxylate
CID 46260640
butan-2-yl 2-amino-3,5-dimethylbenzoate
CID 63112676
2-ethoxyethyl 2-amino-3,5-dimethylbenzoate
CID 55178460
cyclobutyl 2-amino-3,5-dimethylbenzoate
CID 63112719
methyl 2-amino-3-[(2-amino-3-ethoxycarbonyl-5-methylphenyl)disulfanyl]-5-methylbenzoate
CID 170667653
1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one
CID 10797797
methyl 4-amino-3-methoxy-2,5-dimethylbenzoate
CID 84780550
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3,5-dimethylbenzoate?
The IUPAC name of methyl 2-amino-3,5-dimethylbenzoate (CID 10702497) is methyl 2-amino-3,5-dimethylbenzoate.
What is the SMILES notation for methyl 2-amino-3,5-dimethylbenzoate?
The canonical SMILES for methyl 2-amino-3,5-dimethylbenzoate is COC(=O)c1cc(C)cc(C)c1N.
What is the InChIKey of methyl 2-amino-3,5-dimethylbenzoate?
The InChIKey is XRCRCNXSQYQLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-4-7(2)9(11)8(5-6)10(12)13-3/h4-5H,11H2,1-3H3.
What are the key properties of methyl 2-amino-3,5-dimethylbenzoate?
methyl 2-amino-3,5-dimethylbenzoate has a molecular weight of 179.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3,5-dimethylbenzoate is sourced from PubChem (CID 10702497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).