2-[diethylcarbamoyl(methyl)amino]acetic acid

C8H16N2O3 — CID 43135261

IUPAC2-[diethylcarbamoyl(methyl)amino]acetic acid
SMILESCCN(CC)C(=O)N(C)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-4-10(5-2)8(13)9(3)6-7(11)12/h4-6H2,1-3H3,(H,11,12)
InChIKeyFTROHBOGVPYERL-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.46
Rot. Bonds4

About 2-[diethylcarbamoyl(methyl)amino]acetic acid

2-[diethylcarbamoyl(methyl)amino]acetic acid (PubChem CID 43135261) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[diethylcarbamoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[diethylcarbamoyl(methyl)amino]acetic acid
PubChem CID43135261
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[diethylcarbamoyl(methyl)amino]acetic acid
SMILESCCN(CC)C(=O)N(C)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-4-10(5-2)8(13)9(3)6-7(11)12/h4-6H2,1-3H3,(H,11,12)
InChIKeyFTROHBOGVPYERL-UHFFFAOYSA-N
XLogP0.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[diethylcarbamoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[diethylcarbamoyl(methyl)amino]acetic acid (CID 43135261) is 2-[diethylcarbamoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[diethylcarbamoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[diethylcarbamoyl(methyl)amino]acetic acid is CCN(CC)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[diethylcarbamoyl(methyl)amino]acetic acid?
The InChIKey is FTROHBOGVPYERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-4-10(5-2)8(13)9(3)6-7(11)12/h4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-[diethylcarbamoyl(methyl)amino]acetic acid?
2-[diethylcarbamoyl(methyl)amino]acetic acid has a molecular weight of 188.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethylcarbamoyl(methyl)amino]acetic acid is sourced from PubChem (CID 43135261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).