methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate

C12H16N2O4 — CID 81410265

IUPACmethyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
SMILESCCOc1cccc(N)c1C(=O)NCC(=O)OC
InChIInChI=1S/C12H16N2O4/c1-3-18-9-6-4-5-8(13)11(9)12(16)14-7-10(15)17-2/h4-6H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyJJWWWPAVRKCUSV-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.57
Rot. Bonds5

About methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate

methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate (PubChem CID 81410265) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
PubChem CID81410265
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
SMILESCCOc1cccc(N)c1C(=O)NCC(=O)OC
InChIInChI=1S/C12H16N2O4/c1-3-18-9-6-4-5-8(13)11(9)12(16)14-7-10(15)17-2/h4-6H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyJJWWWPAVRKCUSV-UHFFFAOYSA-N
XLogP0.57
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.57
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-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
2-amino-6-ethoxy-N-(3-methoxy-2-methylpropyl)benzamide
CID 81420520
2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-6-ethoxy-N-hex-5-ynylbenzamide
CID 106208141
2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 81420120
2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide
CID 106332674
2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 114464773
2-amino-6-ethoxy-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 107211215
2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 81420087

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate (CID 81410265) is methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate is CCOc1cccc(N)c1C(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate?
The InChIKey is JJWWWPAVRKCUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-18-9-6-4-5-8(13)11(9)12(16)14-7-10(15)17-2/h4-6H,3,7,13H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate?
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate has a molecular weight of 252.27 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 81410265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).