ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate

C10H18N2O4 — CID 55207593

IUPACethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)CN(C)C(C)=O
InChIInChI=1S/C10H18N2O4/c1-5-16-10(15)7-12(4)9(14)6-11(3)8(2)13/h5-7H2,1-4H3
InChIKeyQUDMRMLXYSBUSI-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.51
Rot. Bonds5

About ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate

ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate (PubChem CID 55207593) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate
PubChem CID55207593
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)CN(C)C(C)=O
InChIInChI=1S/C10H18N2O4/c1-5-16-10(15)7-12(4)9(14)6-11(3)8(2)13/h5-7H2,1-4H3
InChIKeyQUDMRMLXYSBUSI-UHFFFAOYSA-N
XLogP-0.51
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate
CID 55207467
ethyl 2-[carbonochloridoyl(methyl)amino]acetate
CID 134306024
(2-ethoxy-2-oxoethyl)-methylcarbamothioic S-acid
CID 155530849
propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91709608
2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
CID 43356271
(2-ethoxy-2-oxoethyl)-methylcarbamodithioic acid
CID 10051757
ethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62012976
ethyl 2-[dimethylcarbamothioyl(methyl)amino]acetate
CID 14401485
2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
CID 115538733
ethane;ethyl 2-(dimethylamino)acetate
CID 170607054
ethyl 2-(dimethylamino)acetate;hydrochloride
CID 86629091
3-methylbutyl 2-[acetyl(methyl)amino]acetate
CID 78863232

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate (CID 55207593) is ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate is CCOC(=O)CN(C)C(=O)CN(C)C(C)=O.
What is the InChIKey of ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate?
The InChIKey is QUDMRMLXYSBUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-5-16-10(15)7-12(4)9(14)6-11(3)8(2)13/h5-7H2,1-4H3.
What are the key properties of ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate?
ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate has a molecular weight of 230.26 g/mol, XLogP of -0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate is sourced from PubChem (CID 55207593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).