(2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid

C9H16N2O6 — CID 104875368

IUPAC(2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid
SMILESCOCCNC(=O)NC(=O)CO[C@H](C)C(=O)O
InChIInChI=1S/C9H16N2O6/c1-6(8(13)14)17-5-7(12)11-9(15)10-3-4-16-2/h6H,3-5H2,1-2H3,(H,13,14)(H2,10,11,12,15)/t6-/m1/s1
InChIKeyADXYHFLMHKBVPL-ZCFIWIBFSA-N
MW248.23 g/mol
LogP-1.05
Rot. Bonds7

About (2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid

(2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid (PubChem CID 104875368) has the molecular formula C9H16N2O6 and a molecular weight of 248.23 g/mol. Its IUPAC name is (2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid
PubChem CID104875368
Molecular FormulaC9H16N2O6
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name(2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid
SMILESCOCCNC(=O)NC(=O)CO[C@H](C)C(=O)O
InChIInChI=1S/C9H16N2O6/c1-6(8(13)14)17-5-7(12)11-9(15)10-3-4-16-2/h6H,3-5H2,1-2H3,(H,13,14)(H2,10,11,12,15)/t6-/m1/s1
InChIKeyADXYHFLMHKBVPL-ZCFIWIBFSA-N
XLogP-1.05
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid (CID 104875368) is (2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid is COCCNC(=O)NC(=O)CO[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid?
The InChIKey is ADXYHFLMHKBVPL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N2O6/c1-6(8(13)14)17-5-7(12)11-9(15)10-3-4-16-2/h6H,3-5H2,1-2H3,(H,13,14)(H2,10,11,12,15)/t6-/m1/s1.
What are the key properties of (2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid?
(2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid has a molecular weight of 248.23 g/mol, XLogP of -1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethoxy]propanoic acid is sourced from PubChem (CID 104875368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).