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

C8H15NO5 — CID 23195085

IUPAC2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid
SMILESCCOC(=O)CNC(OCC)C(=O)O
InChIInChI=1S/C8H15NO5/c1-3-13-6(10)5-9-7(8(11)12)14-4-2/h7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyDUFFVHUKLAFNNV-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.41
Rot. Bonds7

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

2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid (PubChem CID 23195085) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid.

Molecular Properties

Compound Name2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid
PubChem CID23195085
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid
SMILESCCOC(=O)CNC(OCC)C(=O)O
InChIInChI=1S/C8H15NO5/c1-3-13-6(10)5-9-7(8(11)12)14-4-2/h7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyDUFFVHUKLAFNNV-UHFFFAOYSA-N
XLogP-0.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-Acetamidoacetyl)oxyacetic acid
CID 71459723
Oxazolidine-2-carboxylic acid
CID 13419880
Oxycarbonyl-5-oxazolidinone
CID 19965520
Oxaproline
CID 54004467
2-Acetoxy-glycal
CID 129800769
Ethyl 2-acetamido-2-acetyloxyacetate
CID 15173152
N-2,5,8-trioxa-nonyl glycine
CID 129695743
2-{2-[2-(Methylamino)ethoxy]ethoxy}acetic acid
CID 9855624
2-[2-(Carboxymethoxy)ethylamino]acetic acid
CID 10130202
Ethyl 2-(ethoxycarbonylamino)-2-hydroxyacetate
CID 12276321
Ethyl 2-acetamido-2-ethoxyacetate
CID 14212849
2-Acetamido-2-ethoxyacetic acid
CID 15027090

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid?
The IUPAC name of 2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid (CID 23195085) is 2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid.
What is the SMILES notation for 2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid?
The canonical SMILES for 2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid is CCOC(=O)CNC(OCC)C(=O)O.
What is the InChIKey of 2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid?
The InChIKey is DUFFVHUKLAFNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-3-13-6(10)5-9-7(8(11)12)14-4-2/h7,9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid?
2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid has a molecular weight of 205.21 g/mol, XLogP of -0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid is sourced from PubChem (CID 23195085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).