2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid

C7H12N2O5 — CID 20740821

IUPAC2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid
SMILESCN(C)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H12N2O5/c1-8(2)7(14)9(3-5(10)11)4-6(12)13/h3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyBVQASZASAZUXAF-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.86
Rot. Bonds4

About 2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid

2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid (PubChem CID 20740821) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid
PubChem CID20740821
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid
SMILESCN(C)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H12N2O5/c1-8(2)7(14)9(3-5(10)11)4-6(12)13/h3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyBVQASZASAZUXAF-UHFFFAOYSA-N
XLogP-0.86
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid (CID 20740821) is 2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid is CN(C)C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid?
The InChIKey is BVQASZASAZUXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-8(2)7(14)9(3-5(10)11)4-6(12)13/h3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid?
2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid has a molecular weight of 204.18 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(dimethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 20740821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).