2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid

C8H14N2O5 — CID 43135646

IUPAC2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid
SMILESCOC(=O)CN(C)C(=O)N(C)CC(=O)O
InChIInChI=1S/C8H14N2O5/c1-9(4-6(11)12)8(14)10(2)5-7(13)15-3/h4-5H2,1-3H3,(H,11,12)
InChIKeyKIHJBUOGQZDYBN-UHFFFAOYSA-N
MW218.21 g/mol
LogP-0.77
Rot. Bonds4

About 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid

2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid (PubChem CID 43135646) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid
PubChem CID43135646
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid
SMILESCOC(=O)CN(C)C(=O)N(C)CC(=O)O
InChIInChI=1S/C8H14N2O5/c1-9(4-6(11)12)8(14)10(2)5-7(13)15-3/h4-5H2,1-3H3,(H,11,12)
InChIKeyKIHJBUOGQZDYBN-UHFFFAOYSA-N
XLogP-0.77
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-carboxysarcosine anhydride
CID 90106454
N-methoxy-N-dimethylcarbamoylaminoacetic acid
CID 129813334
2-[[(2-Methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257793
2-[Bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263711
2-[[(2-Ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266126
2-[[Ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266509
2-[[Ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266516
2-[[2-Methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266652
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79271358
2-[2-Methoxyethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 79272629
2-[[2,2-Difluoroethyl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 116316181
2-[[2,2-Dihydroxyethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 20673615

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid (CID 43135646) is 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid is COC(=O)CN(C)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid?
The InChIKey is KIHJBUOGQZDYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-9(4-6(11)12)8(14)10(2)5-7(13)15-3/h4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid?
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid has a molecular weight of 218.21 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 43135646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).