propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate

C13H19NO4 — CID 63327436

IUPACpropan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate
SMILESCCOc1ccc(OC)c(C(=O)OC(C)C)c1N
InChIInChI=1S/C13H19NO4/c1-5-17-10-7-6-9(16-4)11(12(10)14)13(15)18-8(2)3/h6-8H,5,14H2,1-4H3
InChIKeyDQMHGUHPKIMVKC-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.24
Rot. Bonds5

About propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate

propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate (PubChem CID 63327436) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate
PubChem CID63327436
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namepropan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate
SMILESCCOc1ccc(OC)c(C(=O)OC(C)C)c1N
InChIInChI=1S/C13H19NO4/c1-5-17-10-7-6-9(16-4)11(12(10)14)13(15)18-8(2)3/h6-8H,5,14H2,1-4H3
InChIKeyDQMHGUHPKIMVKC-UHFFFAOYSA-N
XLogP2.24
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate
CID 82186234
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7416061
propan-2-yl 5-ethyl-2-methoxybenzoate
CID 82551716
3-methylbutan-2-yl 2-amino-6-ethoxybenzoate
CID 81414285
2-(2-amino-6-ethoxybenzoyl)oxypropanoic acid
CID 81413977
propan-2-yl 2-amino-3-nitro-6-propan-2-yloxybenzoate
CID 57221778
4-methylpentan-2-yl 2-amino-6-ethoxybenzoate
CID 81414693
propan-2-yl 2-amino-3,6-difluorobenzoate
CID 60836795
ethyl 2-(3,6-dimethoxy-2-methylphenyl)-2-oxoacetate
CID 117383449
propan-2-yl 3-methoxy-4-octadecoxybenzoate
CID 170945921
propan-2-yl 4-decoxy-3-methoxybenzoate
CID 170945925
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate?
The IUPAC name of propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate (CID 63327436) is propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate.
What is the SMILES notation for propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate?
The canonical SMILES for propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate is CCOc1ccc(OC)c(C(=O)OC(C)C)c1N.
What is the InChIKey of propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate?
The InChIKey is DQMHGUHPKIMVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-5-17-10-7-6-9(16-4)11(12(10)14)13(15)18-8(2)3/h6-8H,5,14H2,1-4H3.
What are the key properties of propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate?
propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate has a molecular weight of 253.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate is sourced from PubChem (CID 63327436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).