methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate

C12H17NO5 — CID 66876535

IUPACmethyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
SMILESCOCCOc1cc(N)c(C(=O)OC)cc1OC
InChIInChI=1S/C12H17NO5/c1-15-4-5-18-11-7-9(13)8(12(14)17-3)6-10(11)16-2/h6-7H,4-5,13H2,1-3H3
InChIKeyPDAFTWLEZIFYGA-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.09
Rot. Bonds6

About methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate

methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate (PubChem CID 66876535) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
PubChem CID66876535
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Namemethyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
SMILESCOCCOc1cc(N)c(C(=O)OC)cc1OC
InChIInChI=1S/C12H17NO5/c1-15-4-5-18-11-7-9(13)8(12(14)17-3)6-10(11)16-2/h6-7H,4-5,13H2,1-3H3
InChIKeyPDAFTWLEZIFYGA-UHFFFAOYSA-N
XLogP1.09
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387
1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
CID 10823895
ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
CID 143274795
methyl 3-amino-7-(3-chloropropoxy)-6-methoxynaphthalene-2-carboxylate
CID 10936217
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 164580250
ethyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate
CID 23033019
methyl 2-amino-4-methoxy-5-propan-2-yloxybenzoate
CID 84799543
methyl 2-amino-4-(2-methoxyethoxy)benzoate
CID 166066284
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 2-amino-5-[3-(3-carbamoyl-2,6-difluorophenyl)propoxy]-4-methoxybenzoate
CID 175533308
2-amino-4-methoxy-5-pentoxybenzoic acid
CID 43380063

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate?
The IUPAC name of methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate (CID 66876535) is methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate.
What is the SMILES notation for methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate?
The canonical SMILES for methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate is COCCOc1cc(N)c(C(=O)OC)cc1OC.
What is the InChIKey of methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate?
The InChIKey is PDAFTWLEZIFYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-15-4-5-18-11-7-9(13)8(12(14)17-3)6-10(11)16-2/h6-7H,4-5,13H2,1-3H3.
What are the key properties of methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate?
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate has a molecular weight of 255.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate is sourced from PubChem (CID 66876535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).