2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride

C6H12ClNO4 — CID 154878719

IUPAC2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride
SMILESCCOC(=O)CNCC(=O)O.Cl
InChIInChI=1S/C6H11NO4.ClH/c1-2-11-6(10)4-7-3-5(8)9;/h7H,2-4H2,1H3,(H,8,9);1H
InChIKeyGUTPMCLBABMZFN-UHFFFAOYSA-N
MW197.62 g/mol
LogP-0.35
Rot. Bonds5

About 2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride

2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride (PubChem CID 154878719) has the molecular formula C6H12ClNO4 and a molecular weight of 197.62 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride
PubChem CID154878719
Molecular FormulaC6H12ClNO4
Molecular Weight197.62 g/mol
Exact Mass197.05
IUPAC Name2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride
SMILESCCOC(=O)CNCC(=O)O.Cl
InChIInChI=1S/C6H11NO4.ClH/c1-2-11-6(10)4-7-3-5(8)9;/h7H,2-4H2,1H3,(H,8,9);1H
InChIKeyGUTPMCLBABMZFN-UHFFFAOYSA-N
XLogP-0.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride (CID 154878719) is 2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride is CCOC(=O)CNCC(=O)O.Cl.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride?
The InChIKey is GUTPMCLBABMZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.ClH/c1-2-11-6(10)4-7-3-5(8)9;/h7H,2-4H2,1H3,(H,8,9);1H.
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride?
2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride has a molecular weight of 197.62 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoethyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 154878719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).