bis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid

C9H14N2O7 — CID 91427953

IUPACbis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)C.O=C=O.O=C=O
InChIInChI=1S/C7H14N2O3.2CO2/c1-4-9(5-6(10)11)7(12)8(2)3;2*2-1-3/h4-5H2,1-3H3,(H,10,11);;
InChIKeyMIQBZOKOHQTBAQ-UHFFFAOYSA-N
MW262.22 g/mol
LogP-1.09
Rot. Bonds3

About bis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid

bis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid (PubChem CID 91427953) has the molecular formula C9H14N2O7 and a molecular weight of 262.22 g/mol. Its IUPAC name is bis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid.

Molecular Properties

Compound Namebis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid
PubChem CID91427953
Molecular FormulaC9H14N2O7
Molecular Weight262.22 g/mol
Exact Mass262.08
IUPAC Namebis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)C.O=C=O.O=C=O
InChIInChI=1S/C7H14N2O3.2CO2/c1-4-9(5-6(10)11)7(12)8(2)3;2*2-1-3/h4-5H2,1-3H3,(H,10,11);;
InChIKeyMIQBZOKOHQTBAQ-UHFFFAOYSA-N
XLogP-1.09
TPSA129.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid?
The IUPAC name of bis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid (CID 91427953) is bis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid.
What is the SMILES notation for bis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid?
The canonical SMILES for bis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid is CCN(CC(=O)O)C(=O)N(C)C.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid?
The InChIKey is MIQBZOKOHQTBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3.2CO2/c1-4-9(5-6(10)11)7(12)8(2)3;2*2-1-3/h4-5H2,1-3H3,(H,10,11);;.
What are the key properties of bis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid?
bis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid has a molecular weight of 262.22 g/mol, XLogP of -1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);2-[dimethylcarbamoyl(ethyl)amino]acetic acid is sourced from PubChem (CID 91427953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).