methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate

C13H19NO5 — CID 18470661

IUPACmethyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate
SMILESCOC(=O)c1c(N)cc(OC)c(OC)c1OC(C)C
InChIInChI=1S/C13H19NO5/c1-7(2)19-12-10(13(15)18-5)8(14)6-9(16-3)11(12)17-4/h6-7H,14H2,1-5H3
InChIKeyCDXLVNXFPKLBKK-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.86
Rot. Bonds5

About methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate

methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate (PubChem CID 18470661) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate
PubChem CID18470661
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namemethyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate
SMILESCOC(=O)c1c(N)cc(OC)c(OC)c1OC(C)C
InChIInChI=1S/C13H19NO5/c1-7(2)19-12-10(13(15)18-5)8(14)6-9(16-3)11(12)17-4/h6-7H,14H2,1-5H3
InChIKeyCDXLVNXFPKLBKK-UHFFFAOYSA-N
XLogP1.86
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-4-methoxy-5-propan-2-yloxybenzoate
CID 84799543
6-amino-2,3,4-trimethoxybenzoic acid
CID 13036392
methyl 2-amino-4,5-di(propan-2-yloxy)benzoate
CID 82553168
1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone
CID 15345468
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate
CID 84691006
6-amino-2-hydroxy-3,4-dimethoxybenzoic acid
CID 84782545
methyl 3,4,6-trimethoxy-2-methylbenzoate
CID 14037919
methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634395
methyl 2,6-diamino-4-methylbenzoate
CID 57005581
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate
CID 103338197

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate?
The IUPAC name of methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate (CID 18470661) is methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate?
The canonical SMILES for methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate is COC(=O)c1c(N)cc(OC)c(OC)c1OC(C)C.
What is the InChIKey of methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate?
The InChIKey is CDXLVNXFPKLBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-7(2)19-12-10(13(15)18-5)8(14)6-9(16-3)11(12)17-4/h6-7H,14H2,1-5H3.
What are the key properties of methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate?
methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate has a molecular weight of 269.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate is sourced from PubChem (CID 18470661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).