methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate

C13H19N3O3 — CID 63383294

IUPACmethyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C13H19N3O3/c1-16(9-13(18)19-2)8-12(17)15-11-5-3-10(7-14)4-6-11/h3-6H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyKZLXMHCAYLXFDY-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.19
Rot. Bonds6

About methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate

methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate (PubChem CID 63383294) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
PubChem CID63383294
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C13H19N3O3/c1-16(9-13(18)19-2)8-12(17)15-11-5-3-10(7-14)4-6-11/h3-6H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyKZLXMHCAYLXFDY-UHFFFAOYSA-N
XLogP0.19
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81058978
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 16790280
methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate
CID 60660384
methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660462
N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide
CID 63726100
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622
2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide
CID 174285055
N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693042
N-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61453245
methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013632
N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide
CID 103187880

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate (CID 63383294) is methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate is COC(=O)CN(C)CC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate?
The InChIKey is KZLXMHCAYLXFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16(9-13(18)19-2)8-12(17)15-11-5-3-10(7-14)4-6-11/h3-6H,7-9,14H2,1-2H3,(H,15,17).
What are the key properties of methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate?
methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate has a molecular weight of 265.31 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 63383294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).