3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid

C11H19NO8 — CID 59863122

IUPAC3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid
SMILESCOCC(COC(=O)C(CC(=O)O)NCC(=O)O)OC
InChIInChI=1S/C11H19NO8/c1-18-5-7(19-2)6-20-11(17)8(3-9(13)14)12-4-10(15)16/h7-8,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyKDCDDUYTHUVZGH-UHFFFAOYSA-N
MW293.27 g/mol
LogP-1.29
Rot. Bonds11

About 3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid

3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid (PubChem CID 59863122) has the molecular formula C11H19NO8 and a molecular weight of 293.27 g/mol. Its IUPAC name is 3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid
PubChem CID59863122
Molecular FormulaC11H19NO8
Molecular Weight293.27 g/mol
Exact Mass293.11
IUPAC Name3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid
SMILESCOCC(COC(=O)C(CC(=O)O)NCC(=O)O)OC
InChIInChI=1S/C11H19NO8/c1-18-5-7(19-2)6-20-11(17)8(3-9(13)14)12-4-10(15)16/h7-8,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyKDCDDUYTHUVZGH-UHFFFAOYSA-N
XLogP-1.29
TPSA131.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid?
The IUPAC name of 3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid (CID 59863122) is 3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid.
What is the SMILES notation for 3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid?
The canonical SMILES for 3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid is COCC(COC(=O)C(CC(=O)O)NCC(=O)O)OC.
What is the InChIKey of 3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid?
The InChIKey is KDCDDUYTHUVZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO8/c1-18-5-7(19-2)6-20-11(17)8(3-9(13)14)12-4-10(15)16/h7-8,12H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid?
3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid has a molecular weight of 293.27 g/mol, XLogP of -1.29, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethylamino)-4-(2,3-dimethoxypropoxy)-4-oxobutanoic acid is sourced from PubChem (CID 59863122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).