methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate

C11H14N2O3 — CID 61291717

IUPACmethyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C11H14N2O3/c1-7-3-4-8(12)5-9(7)11(15)13-6-10(14)16-2/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyUPNHEGJPVGQXCA-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.48
Rot. Bonds3

About methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate

methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate (PubChem CID 61291717) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
PubChem CID61291717
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C11H14N2O3/c1-7-3-4-8(12)5-9(7)11(15)13-6-10(14)16-2/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyUPNHEGJPVGQXCA-UHFFFAOYSA-N
XLogP0.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
CID 120619661
5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
CID 120618901
methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
CID 120617889
methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate
CID 120633675
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
methyl 2-[[4-[[(5-amino-2-methylbenzoyl)amino]methyl]phenyl]methylsulfonyl]acetate
CID 120639109
5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide
CID 106179725
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
CID 120632622
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate (CID 61291717) is methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate is COC(=O)CNC(=O)c1cc(N)ccc1C.
What is the InChIKey of methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate?
The InChIKey is UPNHEGJPVGQXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-3-4-8(12)5-9(7)11(15)13-6-10(14)16-2/h3-5H,6,12H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate?
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate has a molecular weight of 222.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 61291717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).