2-(2,2-dimethoxyethylcarbamoylamino)acetic acid

C7H14N2O5 — CID 91077688

IUPAC2-(2,2-dimethoxyethylcarbamoylamino)acetic acid
SMILESCOC(CNC(=O)NCC(=O)O)OC
InChIInChI=1S/C7H14N2O5/c1-13-6(14-2)4-9-7(12)8-3-5(10)11/h6H,3-4H2,1-2H3,(H,10,11)(H2,8,9,12)
InChIKeyIHOWUJMZLWVNHZ-UHFFFAOYSA-N
MW206.20 g/mol
LogP-1.01
Rot. Bonds6

About 2-(2,2-dimethoxyethylcarbamoylamino)acetic acid

2-(2,2-dimethoxyethylcarbamoylamino)acetic acid (PubChem CID 91077688) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(2,2-dimethoxyethylcarbamoylamino)acetic acid
PubChem CID91077688
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name2-(2,2-dimethoxyethylcarbamoylamino)acetic acid
SMILESCOC(CNC(=O)NCC(=O)O)OC
InChIInChI=1S/C7H14N2O5/c1-13-6(14-2)4-9-7(12)8-3-5(10)11/h6H,3-4H2,1-2H3,(H,10,11)(H2,8,9,12)
InChIKeyIHOWUJMZLWVNHZ-UHFFFAOYSA-N
XLogP-1.01
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethylcarbamoylamino)acetic acid?
The IUPAC name of 2-(2,2-dimethoxyethylcarbamoylamino)acetic acid (CID 91077688) is 2-(2,2-dimethoxyethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(2,2-dimethoxyethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(2,2-dimethoxyethylcarbamoylamino)acetic acid is COC(CNC(=O)NCC(=O)O)OC.
What is the InChIKey of 2-(2,2-dimethoxyethylcarbamoylamino)acetic acid?
The InChIKey is IHOWUJMZLWVNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5/c1-13-6(14-2)4-9-7(12)8-3-5(10)11/h6H,3-4H2,1-2H3,(H,10,11)(H2,8,9,12).
What are the key properties of 2-(2,2-dimethoxyethylcarbamoylamino)acetic acid?
2-(2,2-dimethoxyethylcarbamoylamino)acetic acid has a molecular weight of 206.20 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethylcarbamoylamino)acetic acid is sourced from PubChem (CID 91077688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).