2-(carboxymethylamino)-2-ethoxyacetic acid

C6H11NO5 — CID 22445367

IUPAC2-(carboxymethylamino)-2-ethoxyacetic acid
SMILESCCOC(NCC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO5/c1-2-12-5(6(10)11)7-3-4(8)9/h5,7H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyWHDUEJLJGOAQNT-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.89
Rot. Bonds6

About 2-(carboxymethylamino)-2-ethoxyacetic acid

2-(carboxymethylamino)-2-ethoxyacetic acid (PubChem CID 22445367) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-(carboxymethylamino)-2-ethoxyacetic acid.

Molecular Properties

Compound Name2-(carboxymethylamino)-2-ethoxyacetic acid
PubChem CID22445367
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name2-(carboxymethylamino)-2-ethoxyacetic acid
SMILESCCOC(NCC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO5/c1-2-12-5(6(10)11)7-3-4(8)9/h5,7H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyWHDUEJLJGOAQNT-UHFFFAOYSA-N
XLogP-0.89
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
Oxycarbonyl-5-oxazolidinone
CID 19965520
Amino-3-oxapentanoic acid
CID 20510067
Amino(ethoxyethoxy) acetic acid
CID 87123000
2-methoxy-N-acetylglycine
CID 88602532
2-Acetoxy-glycal
CID 129800769
N,N'-dimethyl-3-oxa-glutamic acid
CID 129693828
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
2-Acetamido-2-ethoxyacetic acid
CID 15027090

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)-2-ethoxyacetic acid?
The IUPAC name of 2-(carboxymethylamino)-2-ethoxyacetic acid (CID 22445367) is 2-(carboxymethylamino)-2-ethoxyacetic acid.
What is the SMILES notation for 2-(carboxymethylamino)-2-ethoxyacetic acid?
The canonical SMILES for 2-(carboxymethylamino)-2-ethoxyacetic acid is CCOC(NCC(=O)O)C(=O)O.
What is the InChIKey of 2-(carboxymethylamino)-2-ethoxyacetic acid?
The InChIKey is WHDUEJLJGOAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c1-2-12-5(6(10)11)7-3-4(8)9/h5,7H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(carboxymethylamino)-2-ethoxyacetic acid?
2-(carboxymethylamino)-2-ethoxyacetic acid has a molecular weight of 177.16 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)-2-ethoxyacetic acid is sourced from PubChem (CID 22445367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).