2-amino-3-methoxy-5-methylbenzoate

C9H10NO3- — CID 9442555

IUPAC2-amino-3-methoxy-5-methylbenzoate
SMILESCOc1cc(C)cc(C(=O)[O-])c1N
InChIInChI=1S/C9H11NO3/c1-5-3-6(9(11)12)8(10)7(4-5)13-2/h3-4H,10H2,1-2H3,(H,11,12)/p-1
InChIKeyMZBBOQIBKZOHDX-UHFFFAOYSA-M
MW180.18 g/mol
LogP-0.05
Rot. Bonds2

About 2-amino-3-methoxy-5-methylbenzoate

2-amino-3-methoxy-5-methylbenzoate (PubChem CID 9442555) has the molecular formula C9H10NO3- and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-amino-3-methoxy-5-methylbenzoate.

Molecular Properties

Compound Name2-amino-3-methoxy-5-methylbenzoate
PubChem CID9442555
Molecular FormulaC9H10NO3-
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name2-amino-3-methoxy-5-methylbenzoate
SMILESCOc1cc(C)cc(C(=O)[O-])c1N
InChIInChI=1S/C9H11NO3/c1-5-3-6(9(11)12)8(10)7(4-5)13-2/h3-4H,10H2,1-2H3,(H,11,12)/p-1
InChIKeyMZBBOQIBKZOHDX-UHFFFAOYSA-M
XLogP-0.05
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-0.05
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

ethyl 2-amino-3-methoxy-5-methylbenzoate
CID 54595934
1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
CID 144776470
3-methoxy-5-methylphthalic acid
CID 12908895
sodium 4-amino-5-chloro-2-methoxybenzoate
CID 24820370
propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate
CID 60856722
1-(2-amino-5-bromo-3-methoxyphenyl)ethanone
CID 118922526
methyl 2-iodo-3-methoxy-5-methylbenzoate
CID 14138386
2-tert-butyl-6-methoxy-4-methylaniline
CID 175292269
sodium 4-amino-2-methoxy-5-nitrobenzoate
CID 21275767
2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
CID 43825333
indium(3+);tris(2,3,5-trimethylbenzoate)
CID 22604763
5-chloro-2-methoxybenzoate
CID 6933314

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-5-methylbenzoate?
The IUPAC name of 2-amino-3-methoxy-5-methylbenzoate (CID 9442555) is 2-amino-3-methoxy-5-methylbenzoate.
What is the SMILES notation for 2-amino-3-methoxy-5-methylbenzoate?
The canonical SMILES for 2-amino-3-methoxy-5-methylbenzoate is COc1cc(C)cc(C(=O)[O-])c1N.
What is the InChIKey of 2-amino-3-methoxy-5-methylbenzoate?
The InChIKey is MZBBOQIBKZOHDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO3/c1-5-3-6(9(11)12)8(10)7(4-5)13-2/h3-4H,10H2,1-2H3,(H,11,12)/p-1.
What are the key properties of 2-amino-3-methoxy-5-methylbenzoate?
2-amino-3-methoxy-5-methylbenzoate has a molecular weight of 180.18 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-5-methylbenzoate is sourced from PubChem (CID 9442555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).