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

C5H9NO4 — CID 25193614

IUPAC2-[2-(methylamino)-2-oxoethoxy]acetic acid
SMILESCNC(=O)COCC(=O)O
InChIInChI=1S/C5H9NO4/c1-6-4(7)2-10-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyOINPPNBEUXMDDT-UHFFFAOYSA-N
MW147.13 g/mol
LogP-1.17
Rot. Bonds4

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

2-[2-(methylamino)-2-oxoethoxy]acetic acid (PubChem CID 25193614) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(methylamino)-2-oxoethoxy]acetic acid
PubChem CID25193614
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-[2-(methylamino)-2-oxoethoxy]acetic acid
SMILESCNC(=O)COCC(=O)O
InChIInChI=1S/C5H9NO4/c1-6-4(7)2-10-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyOINPPNBEUXMDDT-UHFFFAOYSA-N
XLogP-1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(methylamino)-2-oxoethoxy]acetic acid (CID 25193614) is 2-[2-(methylamino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(methylamino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(methylamino)-2-oxoethoxy]acetic acid is CNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(methylamino)-2-oxoethoxy]acetic acid?
The InChIKey is OINPPNBEUXMDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-6-4(7)2-10-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9).
What are the key properties of 2-[2-(methylamino)-2-oxoethoxy]acetic acid?
2-[2-(methylamino)-2-oxoethoxy]acetic acid has a molecular weight of 147.13 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 25193614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).