(2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate

C12H15NO6 — CID 67865616

IUPAC(2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate
SMILESCOC(=O)NCC(=O)Oc1cccc(OC)c1OC
InChIInChI=1S/C12H15NO6/c1-16-8-5-4-6-9(11(8)17-2)19-10(14)7-13-12(15)18-3/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyZDITZSVIZJSAOE-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.97
Rot. Bonds5

About (2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate

(2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate (PubChem CID 67865616) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate
PubChem CID67865616
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name(2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate
SMILESCOC(=O)NCC(=O)Oc1cccc(OC)c1OC
InChIInChI=1S/C12H15NO6/c1-16-8-5-4-6-9(11(8)17-2)19-10(14)7-13-12(15)18-3/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyZDITZSVIZJSAOE-UHFFFAOYSA-N
XLogP0.97
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
(2,3-dimethoxyphenyl) 3-aminopropanoate
CID 94259654
(2,3-dimethoxyphenyl) N-(2-cyanoethyl)carbamate
CID 116819885
(2-butanoyloxy-3-methoxyphenyl) butanoate
CID 140675737
bis(2,6-dimethoxyphenyl) butanedioate
CID 91737376
(2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate
CID 110671038
(2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate
CID 18922280
(3-methoxy-2-pentanoyloxyphenyl) pentanoate
CID 90032115
(2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate
CID 110671040
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
(3-ethoxy-2-propanoyloxyphenyl) propanoate;(3-methoxy-2-propanoyloxyphenyl) propanoate
CID 90032322
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate?
The IUPAC name of (2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate (CID 67865616) is (2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate.
What is the SMILES notation for (2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate?
The canonical SMILES for (2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate is COC(=O)NCC(=O)Oc1cccc(OC)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate?
The InChIKey is ZDITZSVIZJSAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-16-8-5-4-6-9(11(8)17-2)19-10(14)7-13-12(15)18-3/h4-6H,7H2,1-3H3,(H,13,15).
What are the key properties of (2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate?
(2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate has a molecular weight of 269.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate is sourced from PubChem (CID 67865616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).