2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid

C9H16N2O6 — CID 102698815

IUPAC2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESCOC(C)CNC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C9H16N2O6/c1-6(16-2)3-10-9(15)11-7(12)4-17-5-8(13)14/h6H,3-5H2,1-2H3,(H,13,14)(H2,10,11,12,15)
InChIKeyOSHBXDVFIJVRBI-UHFFFAOYSA-N
MW248.23 g/mol
LogP-1.05
Rot. Bonds7

About 2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid

2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid (PubChem CID 102698815) has the molecular formula C9H16N2O6 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid
PubChem CID102698815
Molecular FormulaC9H16N2O6
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESCOC(C)CNC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C9H16N2O6/c1-6(16-2)3-10-9(15)11-7(12)4-17-5-8(13)14/h6H,3-5H2,1-2H3,(H,13,14)(H2,10,11,12,15)
InChIKeyOSHBXDVFIJVRBI-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid (CID 102698815) is 2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid is COC(C)CNC(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid?
The InChIKey is OSHBXDVFIJVRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6/c1-6(16-2)3-10-9(15)11-7(12)4-17-5-8(13)14/h6H,3-5H2,1-2H3,(H,13,14)(H2,10,11,12,15).
What are the key properties of 2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid?
2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic 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 2-[2-(2-methoxypropylcarbamoylamino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 102698815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).