(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate

C10H12N2O4 — CID 81414867

IUPAC(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OCC(N)=O
InChIInChI=1S/C10H12N2O4/c1-15-7-4-2-3-6(11)9(7)10(14)16-5-8(12)13/h2-4H,5,11H2,1H3,(H2,12,13)
InChIKeyCIDKHTRGJVDZJL-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.08
Rot. Bonds4

About (2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate

(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate (PubChem CID 81414867) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
PubChem CID81414867
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OCC(N)=O
InChIInChI=1S/C10H12N2O4/c1-15-7-4-2-3-6(11)9(7)10(14)16-5-8(12)13/h2-4H,5,11H2,1H3,(H2,12,13)
InChIKeyCIDKHTRGJVDZJL-UHFFFAOYSA-N
XLogP-0.08
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl 2-amino-6-methoxybenzoate
CID 81413891
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414457
(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate
CID 81414208
[2-(cyanomethylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414455
3-(2-amino-6-methoxybenzoyl)oxypropanoic acid
CID 81414041
2-ethoxyethyl 2-amino-6-methoxybenzoate
CID 81414860
[2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414209
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
methyl 2-amino-6-(3-amino-3-oxopropoxy)benzoate
CID 107341796
thiophen-3-ylmethyl 2-amino-6-methoxybenzoate
CID 81414459
2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
CID 81413803
3-(2,2,2-trifluoroethoxy)propyl 2-amino-6-methoxybenzoate
CID 81395083

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate (CID 81414867) is (2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate is COc1cccc(N)c1C(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate?
The InChIKey is CIDKHTRGJVDZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-15-7-4-2-3-6(11)9(7)10(14)16-5-8(12)13/h2-4H,5,11H2,1H3,(H2,12,13).
What are the key properties of (2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate?
(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate has a molecular weight of 224.22 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate is sourced from PubChem (CID 81414867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).