methyl 2-amino-5-methoxybenzoate

C9H11NO3 — CID 13052275

IUPACmethyl 2-amino-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C9H11NO3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5H,10H2,1-2H3
InChIKeyMOVBJUGHBJJKOW-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.06
Rot. Bonds2

About methyl 2-amino-5-methoxybenzoate

methyl 2-amino-5-methoxybenzoate (PubChem CID 13052275) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 2-amino-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-methoxybenzoate
PubChem CID13052275
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 2-amino-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C9H11NO3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5H,10H2,1-2H3
InChIKeyMOVBJUGHBJJKOW-UHFFFAOYSA-N
XLogP1.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873
methyl 2-amino-5-propan-2-yloxybenzoate
CID 13052308
methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
CID 61305630
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
propyl 2-amino-5-methoxybenzoate
CID 60837149
2-amino-5-methoxybenzamide;ethane
CID 142071126
methyl 2-amino-5-(2-methoxyphenoxy)benzoate
CID 61306841
methyl 2-amino-5-(3,4-dimethylphenoxy)benzoate
CID 63423501
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513
2-amino-5-methoxy-N',N'-dimethylbenzohydrazide
CID 83012633
methyl 2-amino-5-(1,1,1-trifluoropropan-2-yloxy)benzoate
CID 66276994
CID 144556963
CID 144556963

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-methoxybenzoate?
The IUPAC name of methyl 2-amino-5-methoxybenzoate (CID 13052275) is methyl 2-amino-5-methoxybenzoate.
What is the SMILES notation for methyl 2-amino-5-methoxybenzoate?
The canonical SMILES for methyl 2-amino-5-methoxybenzoate is COC(=O)c1cc(OC)ccc1N.
What is the InChIKey of methyl 2-amino-5-methoxybenzoate?
The InChIKey is MOVBJUGHBJJKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5H,10H2,1-2H3.
What are the key properties of methyl 2-amino-5-methoxybenzoate?
methyl 2-amino-5-methoxybenzoate has a molecular weight of 181.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-methoxybenzoate is sourced from PubChem (CID 13052275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).