ethoxymethyl 5-amino-2-chlorobenzoate

C10H12ClNO3 — CID 65369551

IUPACethoxymethyl 5-amino-2-chlorobenzoate
SMILESCCOCOC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C10H12ClNO3/c1-2-14-6-15-10(13)8-5-7(12)3-4-9(8)11/h3-5H,2,6,12H2,1H3
InChIKeyXVZUDFXGMABDGP-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.07
Rot. Bonds4

About ethoxymethyl 5-amino-2-chlorobenzoate

ethoxymethyl 5-amino-2-chlorobenzoate (PubChem CID 65369551) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is ethoxymethyl 5-amino-2-chlorobenzoate.

Molecular Properties

Compound Nameethoxymethyl 5-amino-2-chlorobenzoate
PubChem CID65369551
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Nameethoxymethyl 5-amino-2-chlorobenzoate
SMILESCCOCOC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C10H12ClNO3/c1-2-14-6-15-10(13)8-5-7(12)3-4-9(8)11/h3-5H,2,6,12H2,1H3
InChIKeyXVZUDFXGMABDGP-UHFFFAOYSA-N
XLogP2.07
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-propoxyethyl 5-amino-2-chlorobenzoate
CID 63686521
ethoxymethyl 2-amino-4-chlorobenzoate
CID 65369666
methyl 5-amino-2-chlorobenzoate
CID 5200412
2-methylsulfanylethyl 5-amino-2-chlorobenzoate
CID 115898057
3-ethoxypropyl 4-amino-2-chlorobenzoate
CID 65180615
[3-(methylamino)-3-oxopropyl] 5-amino-2-chlorobenzoate
CID 62326124
(2,4,6-trimethylphenyl)methyl 5-amino-2-chlorobenzoate
CID 62548299
2-(2,2,2-trifluoroethoxy)ethyl 5-amino-2-chlorobenzoate
CID 61490469
ethyl 2-acetyl-4-aminobenzoate
CID 70477143
[1-(ethylamino)-1-oxopropan-2-yl] 5-amino-2-chlorobenzoate
CID 61321068
ethoxymethyl 2-amino-3-methylbenzoate
CID 65369778
(1-ethylpyrazol-4-yl)methyl 5-amino-2-chlorobenzoate
CID 62127530

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl 5-amino-2-chlorobenzoate?
The IUPAC name of ethoxymethyl 5-amino-2-chlorobenzoate (CID 65369551) is ethoxymethyl 5-amino-2-chlorobenzoate.
What is the SMILES notation for ethoxymethyl 5-amino-2-chlorobenzoate?
The canonical SMILES for ethoxymethyl 5-amino-2-chlorobenzoate is CCOCOC(=O)c1cc(N)ccc1Cl.
What is the InChIKey of ethoxymethyl 5-amino-2-chlorobenzoate?
The InChIKey is XVZUDFXGMABDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-2-14-6-15-10(13)8-5-7(12)3-4-9(8)11/h3-5H,2,6,12H2,1H3.
What are the key properties of ethoxymethyl 5-amino-2-chlorobenzoate?
ethoxymethyl 5-amino-2-chlorobenzoate has a molecular weight of 229.66 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl 5-amino-2-chlorobenzoate is sourced from PubChem (CID 65369551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).